SCHEMBL21178200

CNC(=O)[C@@H]1C[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(C(OCC[Si](C)(C)C)c5c(C)noc5C)ccc34)n2)CN(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CCNK	O75909	17/20	0.48

▸	CDK12	Q9NYV4	17/20	0.48

▸	CCNE1	P24864	13/20	0.48

▸	CDK2	P24941	13/20	0.48

▸	CDK7	P50613	11/20	0.48

▸	CCNH	P51946	11/20	0.48

▸	CCNT1	O60563	10/20	0.48

▸	CDK9	P50750	10/20	0.48

▸	MNAT1	P51948	10/20	0.48

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.

Compound	similarity	top predicted	shared targets
SCHEMBL21178243	0.93	CCNK (0.45)	CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21178467	0.89	CCNK (0.44)	CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21179289	0.80	CCNK (0.47)	CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21178537	0.78	CCNK (0.64)	CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21178469	0.75	CCNK (0.56)	CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21178561	0.75	CCNK (0.67)	CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21178458	0.74	CCNK (0.52)	CCNKCDK12CCNE1CDK2CDK7
SCHEMBL21188453	0.73	CCNE1 (0.74)	CCNKCDK12CCNE1CDK2CDK7
SCHEMBL24087381	0.72	CCNK (0.60)	CCNKCDK12CCNE1CDK2CDK7
SCHEMBL29509325	0.72	CCNK (0.60)	CCNKCDK12CCNE1CDK2CDK7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3740207-A1	INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)	Syros Pharmaceuticals, Inc. (US)	2020-11-25	—	—	EP	disclosed
WO-2019143719-A1	INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)	SYROS PHARMACEUTICALS, INC. (US)	2019-07-25	—	—	WO	disclosed