SCHEMBL22860118

SCHEMBL22860118

N#Cc1cc2cnc(NC3CCN(S(=O)(=O)C4CC4)CC3)nc2n(C2CCCC2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.64
▸ CDK2 P24941 20/20 0.64
▸ CCND1 P24385 14/20 0.64
▸ CDK6 Q00534 14/20 0.64
▸ CCNT1 O60563 5/20 0.64
▸ CDK9 P50750 5/20 0.64
▸ CDK4 P11802 4/20 0.64
▸ CCND3 P30281 1/20 0.62
▸ RB1 P06400 1/20 0.58
▸ CDK1 P06493 1/20 0.58

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
SCHEMBL29507956 1.00 CCNE1 (0.64) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22164779 0.92 CCNE1 (0.76) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29507753 0.92 CCNE1 (0.76) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22860262 0.91 CCNE1 (0.64) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29507883 0.91 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22860414 0.91 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22860648 0.90 CCNE1 (0.68) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29507786 0.90 CCNE1 (0.68) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL22860530 0.90 CCNE1 (0.73) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29508124 0.90 CCNE1 (0.73) CCNE1CDK2CCND1CDK6CCNT1

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-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 — — CN disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 — — WO disclosed
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