SCHEMBL21026995

SCHEMBL21026995

Cn1cc(-c2nc(N[C@@H]3CCC[C@H](NCc4ccc(NC(=O)OCc5ccccc5)cn4)C3)ncc2Cl)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 18/20 0.43
▸ CCNH P51946 16/20 0.43
▸ CCNT1 O60563 14/20 0.43
▸ CDK9 P50750 14/20 0.43
▸ MNAT1 P51948 12/20 0.43
▸ CCNK O75909 9/20 0.43
▸ CDK12 Q9NYV4 9/20 0.43
▸ CDK13 Q14004 7/20 0.42
▸ CDK2 P24941 7/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CCNA2 P20248 6/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38

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
SCHEMBL19024571 0.90 CDK7 (0.41) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL17151962 0.89 CDK7 (0.40) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL17151963 0.86 CDK7 (0.57) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL20994619 0.80 CDK7 (0.44) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL17150470 0.78 CDK7 (0.45) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL19580260 0.78 CDK7 (0.53) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL19580261 0.78 CDK7 (0.53) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL19040150 0.78 CDK7 (0.60) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL17150634 0.77 CCNT1 (0.38) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL17688369 0.76 CDK7 (0.49) CDK7CCNHCCNT1CDK9MNAT1

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
EP-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 — — EP disclosed
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