SCHEMBL8033766

SCHEMBL8033766

CC(C)(C)n1nnc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.36
AR P10275 1/20 0.34
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.33
EIF4E P06730 1/20 0.32
CXCR3 P49682 1/20 0.32
PPARG P37231 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL8032747 0.85 F2RL3 (0.37) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8045305 0.85 F2RL3 (0.35) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8050819 0.84 F2RL3 (0.36) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8050993 0.82 CTSS (0.36) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8050186 0.81 ATP4A (0.35) F2RL3ARMAPTALOX5CXCR3
SCHEMBL8043826 0.80 HTR1A (0.44) ARMAPT
SCHEMBL8042670 0.78 RAB9A (0.43) ARMAPT
SCHEMBL8045256 0.78 MAPT (0.35) F2RL3ARMAPTALOX5EIF4E
SCHEMBL8048213 0.77 XPO1 (0.40) F2RL3MAPTEIF4E
SCHEMBL8033189 0.77 RAB9A (0.38) ARALOX5EIF4E

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed