SCHEMBL29555505

SCHEMBL29555505

Cc1ccc(N)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 14/20 1.00
▸ BCR P11274 12/20 1.00
▸ PRKCA P17252 3/20 0.73
▸ PDGFRA P16234 7/20 0.68
▸ PDGFRB P09619 6/20 0.68
▸ EGFR P00533 5/20 0.67
▸ SRC P12931 1/20 0.67
▸ PRKACA P17612 1/20 0.67
▸ PRKACG P22612 1/20 0.67
▸ PRKACB P22694 1/20 0.67
▸ JAK3 P52333 1/20 0.63
▸ BTK Q06187 1/20 0.63
▸ ITK Q08881 1/20 0.63
▸ KIT P10721 2/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2392 1.00 ABL1 (1.00) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL29366999 1.00 ABL1 (1.00) ABL1BCRPRKCAPDGFRAPDGFRB
Ammonia Solution, Strong SCHEMBL4749564 0.99 ABL1 (0.98) ABL1BCRPRKCAPDGFRAPDGFRB
Hydrochloric Acid SCHEMBL2419016 0.99 ABL1 (0.98) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL14938216 0.92 ABL1 (0.85) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL3860532 0.91 ABL1 (0.83) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL2575958 0.88 ABL1 (0.78) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL12320924 0.88 ABL1 (0.78) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL7601457 0.88 ABL1 (0.78) ABL1BCRPRKCAPDGFRAPDGFRB
SCHEMBL14041906 0.87 ABL1 (0.78) ABL1BCRPRKCAPDGFRAPDGFRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112125882-B Method for synthesizing imatinib free base 山东汇海医药化工有限公司 2023-04-11 — — CN claimed
CN-114685428-A Preparation method of imatinib mesylate 重庆圣华曦药业股份有限公司 2022-07-01 — — CN claimed
CN-114315595-B Preparation method of carbon-supported iron-based catalyst and application of intermediate synthesis of anticancer inhibitor of carbon-supported iron-based catalyst 奥锐特药业股份有限公司 2023-12-05 — — CN disclosed
CN-113004252-B Aryl imidazole derivative and application thereof 江苏先声药业有限公司 2023-06-09 — — CN disclosed
WO-2023098592-A1 PREPARATION METHOD FOR CARBON-LOADED IRON-BASED CATALYST AND USE THEREOF IN SYNTHESIS OF INTERMEDIATES OF ANTI-CANCER INHIBITORS 奥锐特药业股份有限公司 2023-06-08 — — WO disclosed
CN-112125882-B Method for synthesizing imatinib free base 山东汇海医药化工有限公司 2023-04-11 — — CN disclosed
CN-112125882-B Method for synthesizing imatinib free base 山东汇海医药化工有限公司 2023-04-11 — — CN disclosed
WO-2023283369-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-01-12 — — WO disclosed
EP-4045494-A1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE Esco Aster Pte. Ltd. (SG) 2022-08-24 — — EP disclosed
CN-114685428-A Preparation method of imatinib mesylate 重庆圣华曦药业股份有限公司 2022-07-01 — — CN disclosed
CN-114685428-A Preparation method of imatinib mesylate 重庆圣华曦药业股份有限公司 2022-07-01 — — CN disclosed
CN-114585615-A Synthesis of 6-methyl-N1- (4- (pyridin-3-yl) pyrimidin-2-yl) benzene-1, 3-diamine 新加坡艺思高艾斯特生物科技有限公司 2022-06-03 — — CN disclosed
CN-114585615-A Synthesis of 6-methyl-N1- (4- (pyridin-3-yl) pyrimidin-2-yl) benzene-1, 3-diamine 新加坡艺思高艾斯特生物科技有限公司 2022-06-03 — — CN disclosed
CN-114315595-A Preparation method of carbon-supported iron-based catalyst and synthesis application of anti-cancer inhibitor intermediate thereof 湖南大学 2022-04-12 — — CN disclosed
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