SCHEMBL23336344

C=CC(=O)Nc1ccc([C@@H](N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5cc(C/C=C/C(=O)Cl)ccc45)n3)C2)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CDK7	P50613	19/20	0.56

▸	CDK9	P50750	18/20	0.56

▸	CCNH	P51946	18/20	0.56

▸	CCNT1	O60563	17/20	0.56

▸	MNAT1	P51948	13/20	0.56

▸	CCNK	O75909	14/20	0.51

▸	CDK12	Q9NYV4	14/20	0.51

▸	CCNA2	P20248	11/20	0.51

▸	CDK2	P24941	11/20	0.51

▸	CDK13	Q14004	12/20	0.51

▸	RPS6KA3	P51812	1/20	0.50

▸	CDK3	Q00526	1/20	0.48

▸	EGFR	P00533	1/20	0.46

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
SCHEMBL16665141	0.88	CDK7 (0.71)	CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL28349384	0.88	CDK7 (0.71)	CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL18072817	0.77	CDK7 (0.83)	CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL23040294	0.74	CDK7 (0.67)	CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL16665147	0.74	CDK7 (0.67)	CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL16654816	0.73	CDK7 (0.74)	CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL18047268	0.73	CDK7 (0.80)	CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL24591549	0.72	CDK7 (1.00)	CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL20209243	0.72	CDK7 (1.00)	CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL19024596	0.72	CDK7 (0.72)	CDK7CDK9CCNHCCNT1MNAT1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3057956-B1	POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)	DANA FARBER CANCER INST INC (US)	2021-05-05	—	—	EP	disclosed