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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2954969

Cc1cc(OCCCNC(=O)[C@@H](N)C(C)C)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ TTK P33981 15/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ SYK P43405 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4766652 0.96 AXL (0.45) AXLMERTKTTKBRD4ADORA3
SCHEMBL2951204 0.89 AXL (0.47) AXLMERTKTTKADORA3ADORA1
Trifluoroacetic Acid SCHEMBL2954973 0.88 AXL (0.42) AXLMERTKTTKADORA3ADORA1
Trifluoroacetic Acid SCHEMBL2954876 0.87 AXL (0.42) AXLMERTKTTKADORA3ADORA1
SCHEMBL2954639 0.87 AXL (0.46) AXLMERTKTTKBRD4ADORA3
SCHEMBL3041633 0.84 AXL (0.41) AXLMERTKTTKADORA3ADORA1
SCHEMBL2946205 0.83 MERTK (0.48) AXLMERTKTTKBRD4ADORA3
SCHEMBL4766705 0.83 AXL (0.45) AXLMERTKTTKADORA3ADORA1
SCHEMBL2950079 0.83 MERTK (0.50) AXLMERTKTTKBRD4ADORA3
SCHEMBL3698227 0.82 AXL (0.47) AXLMERTKTTKBRD4ADORA3

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 — — WO claimed