SCHEMBL29250640

SCHEMBL29250640

Cn1cc(Nc2ncc(-c3cccc(C(F)(F)F)c3)c(Nc3cc([N+](=O)[O-])ccc3F)n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.50
▸ CCNE2 O96020 1/20 0.50
▸ CCNE1 P24864 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ AXL P30530 3/20 0.47
▸ TYRO3 Q06418 3/20 0.47
▸ MERTK Q12866 3/20 0.47
▸ DDR2 Q16832 10/20 0.46
▸ CTSC P53634 1/20 0.44
▸ KDR P35968 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ ABCG2 Q9UNQ0 3/20 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
SCHEMBL29537792 1.00 CCNT1 (0.50) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL26619221 0.91 CCNE2 (0.48) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29537557 0.91 CCNE2 (0.48) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29065177 0.89 CDK2 (0.46) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29508046 0.89 CDK2 (0.46) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL24393262 0.86 TYRO3 (0.51) AXLTYRO3MERTKDDR2CTSC
SCHEMBL29537423 0.86 TYRO3 (0.51) AXLTYRO3MERTKDDR2CTSC
SCHEMBL29507923 0.85 CDK2 (0.49) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29508053 0.85 CDK2 (0.49) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29538078 0.85 CDK2 (0.50) CCNT1CCNE2CCNE1CDK2CDK9

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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