Trifluoroacetic Acid

SCHEMBL28457409

COc1cc2nc(-c3ccc(F)c(Cl)c3)nc(N)c2cc1N.O=C(O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	TSPO	P30536	1/20	0.43

▸	FYN	P06241	1/20	0.40

▸	EGFR	P00533	1/20	0.39

▸	CSF1R	P07333	1/20	0.39

▸	TP53	P04637	2/20	0.37

▸	MAPT	P10636	2/20	0.37

▸	ADRA1D	P25100	2/20	0.37

▸	ADRA1A	P35348	2/20	0.37

▸	ADRA1B	P35368	2/20	0.37

▸	KDR	P35968	2/20	0.36

▸	RAD52	P43351	2/20	0.36

▸	MEN1	O00255	2/20	0.36

▸	KMT2A	Q03164	2/20	0.36

▸	UBE2N	P61088	1/20	0.36

▸	WHR1	P49842	2/20	0.36

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
SCHEMBL27532	0.91	FYN (0.43)	TSPOFYNEGFRTP53MAPT
SCHEMBL29714497	0.91	FYN (0.43)	TSPOFYNEGFRTP53MAPT
SCHEMBL29229255	0.85	TP53 (0.48)	FYNEGFRTP53MAPTKDR
SCHEMBL30505593	0.85	TP53 (0.48)	FYNEGFRTP53MAPTKDR
SCHEMBL16212409	0.83	TSPO (0.38)	TSPOFYNEGFRCSF1RTP53
SCHEMBL30505596	0.82	FYN (0.52)	TSPOFYNEGFRCSF1RTP53
SCHEMBL29229404	0.82	FYN (0.52)	TSPOFYNEGFRCSF1RTP53
Trifluoroacetic Acid SCHEMBL30792545	0.82	TP53 (0.34)	EGFRTP53MAPTADRA1DADRA1A
Trifluoroacetic Acid SCHEMBL28462246	0.82	TP53 (0.34)	EGFRTP53MAPTADRA1DADRA1A
SCHEMBL16212933	0.80	KDM4E (0.41)	TSPOFYNMAPTMEN1KMT2A

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
CN-107556295-B	Quinazoline derivatives and process for their preparation	正大天晴药业集团股份有限公司	2020-09-04	—	—	CN	disclosed