SCHEMBL16655188

SCHEMBL16655188

CC1(N(Cc2ccccc2)C(=O)O)CCCC(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 5/20 0.46
▸ CCNT1 O60563 5/20 0.46
▸ CDK9 P50750 5/20 0.46
▸ CCNH P51946 4/20 0.46
▸ MNAT1 P51948 4/20 0.46
▸ CDK2 P24941 9/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ HTR6 P50406 2/20 0.40
▸ JUN P05412 7/20 0.40
▸ MAPK8 P45983 7/20 0.40
▸ MAPK9 P45984 7/20 0.40
▸ MAPK10 P53779 6/20 0.40
▸ EGFR P00533 5/20 0.40
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39

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
SCHEMBL20994616 1.00 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024551 1.00 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024485 1.00 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024458 0.91 HTR6 (0.39) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL21027469 0.86 CCNT1 (0.52) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20536159 0.85 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024518 0.85 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150473 0.85 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17688395 0.85 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20549548 0.84 CDK7 (0.46) 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 6 patents. 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
EP-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 — — EP disclosed
EP-3126352-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2018-10-17 — — EP disclosed
EP-3057956-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Dana-Farber Cancer Institute, Inc. (US) 2016-08-24 — — EP disclosed
WO-2016058544-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2016-04-21 — — WO disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 — — WO disclosed
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