SCHEMBL24670970

COc1cc(NC(=O)c2ccc(C3=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)c(F)c2)ncc1C1=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CDK9	P50750	13/20	0.37

▸	CCNT1	O60563	12/20	0.37

▸	FGFR1	P11362	1/20	0.35

▸	JAK1	P23458	1/20	0.34

▸	KCNQ3	O43525	1/20	0.34

▸	KCNQ2	O43526	1/20	0.34

▸	SCN9A	Q15858	1/20	0.34

▸	EED	O75530	1/20	0.34

▸	RBBP4	Q09028	1/20	0.34

▸	SUZ12	Q15022	1/20	0.34

▸	EZH2	Q15910	1/20	0.34

▸	NPC1	O15118	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.

Compound	similarity	top predicted	shared targets
SCHEMBL29803589	1.00	CDK9 (0.37)	CDK9CCNT1FGFR1JAK1KCNQ3
SCHEMBL24670962	1.00	CDK9 (0.37)	CDK9CCNT1FGFR1JAK1KCNQ3
SCHEMBL24671433	0.89	NAMPT (0.45)	CDK9CCNT1JAK1
SCHEMBL29803578	0.89	NAMPT (0.45)	CDK9CCNT1JAK1
SCHEMBL24669497	0.89	CDK9 (0.35)	CDK9CCNT1JAK1SCN9AEED
SCHEMBL24669498	0.89	CDK9 (0.35)	CDK9CCNT1JAK1SCN9AEED
SCHEMBL29803596	0.88	NAMPT (0.38)	CDK9CCNT1KCNQ3KCNQ2SCN9A
SCHEMBL24671182	0.88	NAMPT (0.38)	CDK9CCNT1KCNQ3KCNQ2SCN9A
SCHEMBL24670919	0.88	JAK1 (0.36)	CDK9CCNT1JAK1SCN9A
SCHEMBL24670965	0.88	JAK1 (0.36)	CDK9CCNT1JAK1SCN9A

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
WO-2022192162-A1	NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE	FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US)	2022-09-15	—	—	WO	disclosed