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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4742391

Nc1nc2c(c(-c3ccc(F)cc3)n1)-c1ccc(Cl)cc1CC2.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.45
▸ ADORA2A P29274 9/20 0.40
▸ ADORA1 P30542 8/20 0.40
▸ SRD5A1 P18405 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ FABP4 P15090 2/20 0.35
▸ DHODH Q02127 2/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ DPP4 P27487 1/20 0.34

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4787500 0.91 TYMS (0.50) TYMSADORA2AADORA1HSP90AB1DPP4
SCHEMBL4739911 0.81 TYMS (0.52) TYMSADORA2AADORA1HSP90AB1
SCHEMBL4740440 0.77 TYMS (0.41) TYMSADORA2AADORA1
SCHEMBL14148121 0.74 TYMS (0.63) TYMSSRD5A1SRD5A2HSP90AB1
SCHEMBL4736837 0.73 TYMS (0.38) TYMSADORA2AADORA1
SCHEMBL4737447 0.73 TYMS (0.38) TYMSADORA2AADORA1
Trifluoroacetic Acid SCHEMBL4740268 0.73 GPR6 (0.41) TYMS
Trifluoroacetic Acid SCHEMBL4740269 0.72 CCNA2 (0.41) ADORA2A
SCHEMBL14148437 0.72 TYMS (0.56) TYMSSRD5A1SRD5A2HSP90AB1
SCHEMBL4737435 0.71 TYMS (0.47) TYMS

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 — — WO disclosed