SCHEMBL17150449

SCHEMBL17150449

CC(C)(C)OC(=O)N(Cc1ccc(N)cn1)[C@H]1CCCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 9/20 0.60
▸ CDK2 P24941 12/20 0.53
▸ MAPK8 P45983 11/20 0.53
▸ MAPK9 P45984 11/20 0.53
▸ JUN P05412 10/20 0.53
▸ MAPK10 P53779 9/20 0.53
▸ CCNT1 O60563 4/20 0.53
▸ CDK9 P50750 4/20 0.53
▸ CCNH P51946 4/20 0.53
▸ CCNK O75909 3/20 0.53
▸ CDK13 Q14004 3/20 0.53
▸ CDK12 Q9NYV4 3/20 0.53
▸ CCNA2 P20248 2/20 0.53
▸ MNAT1 P51948 2/20 0.53
▸ RPS6KA3 P51812 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
SCHEMBL20412369 1.00 CDK7 (0.60) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL17150751 1.00 CDK7 (0.60) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL16655229 0.92 CDK7 (0.63) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL17151972 0.92 CDK7 (0.54) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL17150432 0.90 CDK7 (0.51) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL19024433 0.90 CDK7 (0.65) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL17151935 0.86 CDK7 (0.58) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL17150692 0.86 CDK7 (0.70) CDK7CDK2CCNT1CDK9CCNH
SCHEMBL20412368 0.86 CDK7 (0.70) CDK7CDK2CCNT1CDK9CCNH
SCHEMBL17150704 0.86 CDK7 (0.62) CDK7CDK2MAPK8MAPK9JUN

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 3 patents. 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
WO-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — WO disclosed
WO-2015154038-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — WO disclosed
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