SCHEMBL20994618

SCHEMBL20994618

Cn1ccc2c(-c3nc(N[C@@H]4CCC[C@H](N(Cc5ccccc5)C(=O)O)C4)ncc3Cl)cccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.44
▸ CCNT1 O60563 10/20 0.44
▸ CDK9 P50750 10/20 0.44
▸ CCNH P51946 9/20 0.44
▸ MNAT1 P51948 6/20 0.44
▸ CDK2 P24941 12/20 0.43
▸ CCNE1 P24864 4/20 0.43
▸ CCNK O75909 7/20 0.42
▸ CDK12 Q9NYV4 7/20 0.42
▸ JUN P05412 5/20 0.42
▸ MAPK8 P45983 5/20 0.42
▸ MAPK9 P45984 5/20 0.42
▸ MAPK10 P53779 4/20 0.42
▸ CCNA2 P20248 4/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ CDK13 Q14004 3/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL19024464 0.84 CDK7 (0.48) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20994619 0.84 CDK7 (0.44) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024554 0.81 CDK7 (0.49) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20416064 0.81 CDK7 (0.42) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150728 0.80 CDK7 (0.47) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL21026790 0.80 CDK9 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150726 0.79 CDK7 (0.45) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150715 0.77 CDK7 (0.54) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16655238 0.77 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL18047335 0.77 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1

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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