Trifluoroacetic Acid

SCHEMBL5227861

COc1ccc(Nc2nc3cc(N(C)c4ccnc(Nc5cccc(CS(C)(=O)=O)c5)n4)ccc3n2C)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	KDR	P35968	20/20	0.60

▸	CYP3A4	P08684	1/20	0.50

▸	CYP2D6	P10635	1/20	0.50

▸	CYP2C9	P11712	1/20	0.50

▸	CYP2C19	P33261	1/20	0.50

▸	KIT	P10721	2/20	0.47

▸	PDGFRA	P16234	2/20	0.47

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
Trifluoroacetic Acid SCHEMBL5226596	0.95	KDR (0.52)	KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14263369	0.94	KDR (0.58)	KDRCYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL4978400	0.90	KDR (0.57)	KDRCYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5223205	0.89	KDR (0.48)	KDRCYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5228412	0.88	KDR (0.53)	KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14263363	0.88	KDR (0.53)	KDRCYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5224720	0.87	KDR (0.48)	KDRCYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5227911	0.87	KDR (0.53)	KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14263349	0.86	KDR (0.54)	KDRCYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL4978141	0.86	KDR (0.51)	KDRCYP3A4CYP2D6CYP2C9CYP2C19

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-1487824-B1	DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS	SMITHKLINE BEECHAM CORP (US)	2007-06-20	—	—	EP	claimed