SCHEMBL29250741

SCHEMBL29250741

Cn1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3Br)c(Nc3cccc([N+](=O)[O-])c3)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.53
▸ CCNT1 O60563 2/20 0.53
▸ CCNE1 P24864 2/20 0.53
▸ CDK9 P50750 2/20 0.53
▸ CCNE2 O96020 1/20 0.53
▸ CDK19 Q9BWU1 4/20 0.49
▸ ALK Q9UM73 4/20 0.49
▸ TYRO3 Q06418 3/20 0.47
▸ MERTK Q12866 3/20 0.47
▸ AXL P30530 2/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ CTSC P53634 2/20 0.45
▸ IGF1R P08069 1/20 0.44
▸ DDR2 Q16832 2/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL29537438 1.00 CDK2 (0.53) CDK2CCNT1CCNE1CDK9CCNE2
SCHEMBL29065154 0.84 ALK (0.68) CDK2CCNT1CCNE1CDK9CCNE2
SCHEMBL29250626 0.81 MERTK (0.46) CDK2CCNT1CCNE1CDK9CCNE2
SCHEMBL29537475 0.81 MERTK (0.46) CDK2CCNT1CCNE1CDK9CCNE2
SCHEMBL29508046 0.80 CDK2 (0.46) CDK2CCNT1CCNE1CDK9CCNE2
SCHEMBL29065177 0.80 CDK2 (0.46) CDK2CCNT1CCNE1CDK9CCNE2
SCHEMBL16513510 0.78 CDK19 (0.68) CDK2CCNT1CCNE1CDK9CCNE2
SCHEMBL29250619 0.78 CDK19 (0.68) CDK2CCNT1CCNE1CDK9CCNE2
SCHEMBL29250805 0.78 CCNT1 (0.51) CDK2CCNT1CCNE1CDK9CCNE2
SCHEMBL29250677 0.78 MERTK (0.46) CDK2CCNT1CCNE1CDK9CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685583-A Pyrimidine compounds, compositions and pharmaceutical uses thereof 缆图药品公司 2023-09-01 — — CN disclosed
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