SCHEMBL19209819

SCHEMBL19209819

CCN1CC2CN(C(=O)c3ccc(Nc4ncc(F)c(-c5cnc6nc(C)n(C(C)C)c6c5)n4)nc3)CC2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 18/20 0.57
CCND1 P24385 11/20 0.57
CDK4 P11802 3/20 0.52
CCND3 P30281 3/20 0.52
DYRK2 Q92630 3/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
PIM1 P11309 2/20 0.52
CIT O14578 1/20 0.52
GAK O14976 1/20 0.52
DYRK3 O43781 1/20 0.52
CCNT1 O60563 1/20 0.52
STK16 O75716 1/20 0.52
CCNK O75909 1/20 0.52
STK10 O94804 1/20 0.52
PRKD3 O94806 1/20 0.52
ABCB11 O95342 1/20 0.52
MAP4K4 O95819 1/20 0.52
CCNE2 O96020 1/20 0.52
EGFR P00533 1/20 0.52

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
SCHEMBL19231833 0.92 CDK6 (0.54) CDK6CCND1CDK4DYRK2CDK2
SCHEMBL19209837 0.91 CDK6 (0.69) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL17488688 0.90 CDK4 (0.65) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL19231836 0.90 CDK6 (0.53) CDK6CCND1CDK4DYRK2PIM1
SCHEMBL19231730 0.90 CDK6 (0.53) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL19231735 0.89 CDK6 (0.53) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL19231733 0.88 CDK6 (0.62) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL19209847 0.86 CDK6 (0.68) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL19209887 0.86 CDK6 (0.55) CDK6CCND1CDK4CCND3DYRK2
SCHEMBL19231737 0.85 CDK6 (0.64) CDK6CCND1DYRK2CDK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133701-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-08-10 WO claimed
CN-108602799-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2021-08-03 CN disclosed
WO-2017133701-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-08-10 WO disclosed