SCHEMBL19209852

SCHEMBL19209852

CC(C)c1c2cc(-c3nc(Nc4ccc(CN5CC6CNCC6C5)cn4)ncc3F)cnc2nn1C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 18/20 0.62
CCND1 P24385 13/20 0.62
CDK4 P11802 10/20 0.62
CCNT1 O60563 1/20 0.52
CDK1 P06493 1/20 0.52
CYP2C9 P11712 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CYP2C19 P33261 1/20 0.52
CDK9 P50750 1/20 0.52
CDK5 Q00535 1/20 0.52
KCNH2 Q12809 1/20 0.52
CDK5R1 Q15078 1/20 0.52
DYRK2 Q92630 2/20 0.45

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
SCHEMBL19209860 0.93 CDK6 (0.63) CDK6CCND1CDK4CCNT1CDK1
SCHEMBL19209815 0.92 CDK6 (0.69) CDK6CCND1CDK4CCNT1CDK1
SCHEMBL19231680 0.90 CDK6 (0.64) CDK6CCND1CDK4CCNT1CDK1
SCHEMBL19231679 0.90 CDK6 (0.63) CDK6CCND1CDK4CCNT1CDK1
SCHEMBL19209848 0.89 CDK6 (0.68) CDK6CCND1CDK4CCNT1CDK1
SCHEMBL19231682 0.88 CDK6 (0.58) CDK6CCND1CDK4CCNT1CDK1
SCHEMBL19209858 0.87 CDK6 (0.73) CDK6CCND1CDK4CCNT1CDK1
SCHEMBL19231686 0.87 CDK6 (0.64) CDK6CCND1CDK4CCNT1CDK1
SCHEMBL19209843 0.86 CDK6 (0.81) CDK6CCND1CDK4CCNT1CDK1
SCHEMBL19231782 0.86 CDK6 (0.65) CDK6CCND1CDK4CCNT1CDK1

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 2 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
WO-2017133701-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-08-10 WO disclosed