SCHEMBL30956509

SCHEMBL30956509

COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCCCN4C(=O)OC(C)(C)C)c3)ncc2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.42
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ FLT4 P35916 8/20 0.38
▸ JAK3 P52333 5/20 0.38
▸ LCK P06239 1/20 0.38
▸ KDR P35968 4/20 0.37
▸ DDR2 Q16832 1/20 0.37
▸ PTK2 Q05397 1/20 0.37

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
SCHEMBL30956628 0.90 DYRK2 (0.40) JAK2CDK4CCND1CCND3JAK3
SCHEMBL29249023 0.90 FLT4 (0.42) JAK2CDK1CDK4CCNB1CCND1
SCHEMBL30956589 0.90 CDK2 (0.40) JAK2CDK1CDK4CCND1CCNE1
SCHEMBL22097976 0.86 JAK2 (0.50) JAK2FLT4JAK3KDRPTK2
SCHEMBL30956458 0.85 DYRK2 (0.42) JAK2JAK3PTK2
SCHEMBL30956548 0.84 JAK2 (0.42) JAK2FLT4JAK3KDR
SCHEMBL22097977 0.81 FLT4 (0.55) JAK2FLT4JAK3KDR
SCHEMBL28600657 0.80 IGF1R (0.41) JAK2FLT4JAK3PTK2
Hydrochloric Acid SCHEMBL31557655 0.80 FLT4 (0.54) JAK2FLT4JAK3KDR
SCHEMBL24852462 0.79 JAK2 (0.53) JAK2CDK1CCNB1CCNE1CDK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 — — CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 — — CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 — — CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 — — CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 — — CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 — — CN disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 — — CN disclosed
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