SCHEMBL28349384

SCHEMBL28349384

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 18/20 0.71
▸ CDK9 P50750 16/20 0.71
▸ CCNH P51946 16/20 0.71
▸ CCNT1 O60563 15/20 0.71
▸ MNAT1 P51948 13/20 0.71
▸ CCNA2 P20248 9/20 0.66
▸ CDK2 P24941 9/20 0.66
▸ CCNK O75909 11/20 0.63
▸ CDK12 Q9NYV4 11/20 0.63
▸ CDK13 Q14004 9/20 0.63
▸ EGFR P00533 2/20 0.61
▸ RPS6KA3 P51812 1/20 0.58
▸ CDK3 Q00526 1/20 0.54

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
SCHEMBL16665141 1.00 CDK7 (0.71) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL18072817 0.89 CDK7 (0.83) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL23336344 0.88 CDK7 (0.56) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL16665147 0.86 CDK7 (0.67) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL23040294 0.86 CDK7 (0.67) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL18047268 0.85 CDK7 (0.80) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL24591549 0.83 CDK7 (1.00) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL20209243 0.83 CDK7 (1.00) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL19040186 0.83 CDK7 (0.78) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL17150659 0.83 CDK7 (0.73) CDK7CDK9CCNHCCNT1MNAT1

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-105849099-B Polycyclic inhibitors of cyclin dependent kinase 7(CDK7) 达纳-法伯癌症研究所股份有限公司 2020-01-17 — — CN disclosed
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