SCHEMBL30515504

SCHEMBL30515504

CC(C)CCN1CCN(c2ccc(Nc3nc(NCc4ccccn4)ncc3F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.48
▸ BRD4 O60885 4/20 0.47
▸ FLT3 P36888 2/20 0.46
▸ BTK Q06187 2/20 0.46
▸ EGFR P00533 2/20 0.45
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ NTRK1 P04629 2/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ CCND3 P30281 2/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCND2 P30279 1/20 0.42
▸ CCNK O75909 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ CTSC P53634 1/20 0.40

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
SCHEMBL30670359 0.78 TNK2 (0.59) SYKBRD4ALK
SCHEMBL26619844 0.78 CCND3 (0.56) SYKBRD4FLT3BTKALK
SCHEMBL30670377 0.78 BRD4 (0.58) SYKBRD4FLT3BTKEGFR
SCHEMBL26619887 0.78 BRD4 (0.58) SYKBRD4FLT3BTKEGFR
SCHEMBL26619854 0.77 BRD4 (0.47) SYKBRD4FLT3BTKEGFR
SCHEMBL26620007 0.75 MKNK1 (0.47) SYKBRD4FLT3BTKEGFR
SCHEMBL26619897 0.75 BRD4 (0.55) SYKBRD4FLT3BTKEGFR
SCHEMBL30670373 0.74 SYK (0.41) SYKBRD4FLT3BTKEGFR
SCHEMBL26619895 0.74 SYK (0.41) SYKBRD4FLT3BTKEGFR
SCHEMBL655906 0.72 SYK (0.65) SYKBRD4FLT3BTKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213211-A9 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2024-03-21 — — WO claimed
WO-2023213211-A1 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2023-11-09 — — WO claimed
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 — — CN claimed
WO-2023213211-A9 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2024-03-21 — — WO disclosed
WO-2023213211-A1 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2023-11-09 — — WO disclosed
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 — — CN disclosed
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