SCHEMBL21178882

SCHEMBL21178882

Cc1noc(C)c1-c1ccc2c(-c3nc(NC4CC5CCC4N5C(=O)O)ncc3C(F)(F)F)cn(COCC[Si](C)(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.42
▸ CDK7 P50613 4/20 0.42
▸ CDK9 P50750 4/20 0.42
▸ CCNH P51946 4/20 0.42
▸ CCNK O75909 3/20 0.42
▸ CCNE1 P24864 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ CDK12 Q9NYV4 3/20 0.42
▸ HCRTR2 O43614 11/20 0.38
▸ MNAT1 P51948 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ HCRTR1 O43613 6/20 0.35
▸ DGAT1 O75907 2/20 0.34
▸ EGFR P00533 1/20 0.33
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL24176607 0.90 CCNK (0.44) CCNT1CDK7CDK9CCNHCCNK
SCHEMBL21184312 0.85 CCNK (0.47) CCNT1CDK7CDK9CCNHCCNK
SCHEMBL30853845 0.85 CCNK (0.47) CCNT1CDK7CDK9CCNHCCNK
SCHEMBL21188370 0.84 CCNK (0.52) CCNT1CDK7CDK9CCNHCCNK
SCHEMBL29509375 0.84 CDK7 (0.45) CCNT1CDK7CDK9CCNHCCNK
SCHEMBL21184427 0.84 CCNK (0.47) CCNT1CDK7CDK9CCNHCCNK
SCHEMBL21178909 0.84 CDK7 (0.44) CCNT1CDK7CDK9CCNHCCNK
SCHEMBL21184297 0.84 CDK7 (0.44) CCNT1CDK7CDK9CCNHCCNK
SCHEMBL21184423 0.84 CCNK (0.54) CCNT1CDK7CDK9CCNHCCNK
SCHEMBL21184315 0.82 CDK7 (0.45) CCNT1CDK7CDK9CCNHCCNK

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-3740206-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2024-03-06 — — EP disclosed
EP-3740206-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 — — EP disclosed
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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