SCHEMBL16654303

SCHEMBL16654303

C=CC(=O)Nc1ccc(CN(C)C(=O)[C@H]2CNC[C@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 16/20 0.64
▸ CDK9 P50750 16/20 0.64
▸ CDK7 P50613 16/20 0.64
▸ CCNH P51946 16/20 0.64
▸ MNAT1 P51948 11/20 0.64
▸ EGFR P00533 3/20 0.61
▸ CDK2 P24941 9/20 0.60
▸ CCNA2 P20248 8/20 0.60
▸ CCNK O75909 12/20 0.59
▸ CDK12 Q9NYV4 12/20 0.59
▸ CCNE1 P24864 1/20 0.59
▸ CDK13 Q14004 8/20 0.57
▸ RPS6KA3 P51812 1/20 0.57
▸ CDK3 Q00526 1/20 0.53

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
SCHEMBL16653869 0.90 CCNT1 (0.64) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16654856 0.89 CCNT1 (0.65) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16665759 0.89 CCNT1 (0.65) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16655186 0.88 CCNT1 (0.69) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL21397482 0.88 CCNT1 (0.69) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16655099 0.88 CCNT1 (0.69) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL21397428 0.88 CCNT1 (0.69) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16654816 0.85 CDK7 (0.74) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL21397381 0.83 EGFR (0.70) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL21397471 0.81 CDK9 (0.64) CCNT1CDK9CDK7CCNHMNAT1

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
EP-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — WO disclosed
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