SCHEMBL28036950

SCHEMBL28036950

Cc1nc2c(F)cc(-c3nc(Nc4ccc(CNC5CCN(CCO)CC5)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.67
CDK1 P06493 15/20 0.67
CDK6 Q00534 13/20 0.67
CDK2 P24941 12/20 0.67
CCNB1 P14635 12/20 0.67
CCNE1 P24864 12/20 0.67
CDK9 P50750 7/20 0.67
CDK7 P50613 6/20 0.67
CCND3 P30281 3/20 0.67
CCNA2 P20248 2/20 0.67
CCNT1 O60563 2/20 0.67
CIT O14578 1/20 0.67
GAK O14976 1/20 0.67
DYRK3 O43781 1/20 0.67
STK16 O75716 1/20 0.67
CCNK O75909 1/20 0.67
STK10 O94804 1/20 0.67
PRKD3 O94806 1/20 0.67
ABCB11 O95342 1/20 0.67
MAP4K4 O95819 1/20 0.67

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
SCHEMBL17488621 0.92 CDK4 (0.78) CDK4CDK1CDK6CDK2CCNB1
SCHEMBL17477159 0.92 CDK4 (0.69) CDK4CDK1CDK6CDK2CCNB1
SCHEMBL24021432 0.91 CDK4 (0.69) CDK4CDK1CDK6CDK2CCNB1
SCHEMBL22581097 0.89 CDK4 (0.84) CDK4CDK1CDK6CDK2CCNB1
SCHEMBL28266714 0.88 CDK4 (0.67) CDK4CDK1CDK6CDK2CCNB1
SCHEMBL17489243 0.86 CDK4 (0.68) CDK4CDK1CDK6CDK2CCNB1
SCHEMBL22003576 0.86 CDK4 (0.66) CDK4CDK1CDK6CDK2CCNB1
SCHEMBL22003573 0.86 CDK4 (0.66) CDK4CDK1CDK6CDK2CCNB1
SCHEMBL22003572 0.86 CDK4 (0.66) CDK4CDK1CDK6CDK2CCNB1
SCHEMBL28265467 0.85 CDK4 (0.66) CDK4CDK1CDK6CDK2CCNB1

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
CN-105153119-B Pyridine pyrimidinamine compound or pyridine pyridyl amine compound and its application 广州必贝特医药技术有限公司 2019-01-01 CN disclosed
CN-105153119-A Pyridylpyrimidyl amine compounds or pyridylpyridyl amine compounds and application thereof GUANGZHOU KEQIN NEW MEDICINE DESIGN CO LTD 2015-12-16 CN disclosed