SCHEMBL31591035

SCHEMBL31591035

Cc1cc2cnc(NC3CCN(S(=O)(=O)C4CC4)CC3)nc2c(N2CC(F)(F)C3(CN(C(=O)OC(C)(C)C)C3)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 13/20 0.40
▸ CDK2 P24941 13/20 0.40
▸ CCND1 P24385 12/20 0.40
▸ CDK6 Q00534 11/20 0.40
▸ CDK4 P11802 4/20 0.38
▸ CCND3 P30281 3/20 0.38
▸ CCNT1 O60563 3/20 0.38
▸ CDK9 P50750 3/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ CDK7 P50613 2/20 0.38
▸ CCNH P51946 2/20 0.38
▸ MNAT1 P51948 2/20 0.38
▸ IDH1 O75874 1/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.37
▸ SYK P43405 1/20 0.35
▸ CCND2 P30279 1/20 0.35
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL30768111 1.00 CCNE1 (0.40) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27034888 1.00 CCNE1 (0.40) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27034885 0.88 CDK2 (0.44) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30768123 0.88 CDK2 (0.44) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27034852 0.87 CCNE1 (0.42) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30768118 0.87 CCNE1 (0.42) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30768121 0.87 CCNE1 (0.42) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27060764 0.86 CCNE1 (0.43) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30761978 0.84 CCNE1 (0.43) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27035010 0.84 CCNE1 (0.43) CCNE1CDK2CCND1CDK6CDK4

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-120051470-A Azaquinazoline compounds and methods of use 依安彼克医疗有限公司 2025-05-27 — — CN disclosed
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