Trifluoroacetic Acid

SCHEMBL29465804

C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.90

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	EGFR	P00533	19/20	0.90

▸	ERBB2	P04626	9/20	0.90

▸	RIPK2	O43353	1/20	0.74

▸	RET	P07949	1/20	0.74

▸	MET	P08581	1/20	0.74

▸	EPHB2	P29323	1/20	0.74

▸	TEC	P42680	1/20	0.74

▸	EPHB4	P54760	1/20	0.74

▸	EPHA4	P54764	1/20	0.74

▸	BTK	Q06187	1/20	0.74

▸	KCNH2	Q12809	1/20	0.74

▸	TNK1	Q13470	1/20	0.74

▸	RIPK3	Q9Y572	1/20	0.74

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 SCHEMBL22590146	1.00	EGFR (0.90)	EGFRERBB2RIPK2RETMET
SCHEMBL29444153	0.95	EGFR (1.00)	EGFRERBB2RIPK2RETMET
SCHEMBL22590119	0.95	EGFR (1.00)	EGFRERBB2RIPK2RETMET
Trifluoroacetic Acid SCHEMBL22590136	0.93	EGFR (0.90)	EGFRERBB2RIPK2RETMET
Trifluoroacetic Acid SCHEMBL29465803	0.93	EGFR (0.90)	EGFRERBB2RIPK2RETMET
SCHEMBL22598610	0.90	EGFR (1.00)	EGFRERBB2RIPK2RETMET
SCHEMBL29751934	0.90	EGFR (1.00)	EGFRERBB2RIPK2RETMET
SCHEMBL3423323	0.88	EGFR (0.87)	EGFRERBB2RIPK2RETMET
SCHEMBL3393604	0.88	EGFR (0.87)	EGFRERBB2RIPK2RETMET
SCHEMBL22590129	0.88	EGFR (1.00)	EGFRERBB2RIPK2RETMET

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-3962908-A1	HETEROCYCLIC INHIBITORS OF TYROSINE KINASE	Board of Regents, The University of Texas System (US)	2022-03-09	—	—	EP	disclosed