Sugi Predict

Sugi Predict / Compounds / SCHEMBL2857789

SCHEMBL2857789

SCHEMBL2857789

CC(I)(Nc1ncnc2c1CNCC2)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 14/20 0.36
▸ P2RX2 Q9UBL9 9/20 0.36
▸ GRIN2B Q13224 3/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MCHR1 Q99705 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL4355291 0.81 SOS1 (0.34) P2RX3TRPV1
SCHEMBL2847817 0.79 APP (0.41) TRPV1
SCHEMBL4759238 0.77 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL2862214 0.77 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL2866604 0.76 P2RX3 (0.55) P2RX3P2RX2MCHR1TRPV1
SCHEMBL2862215 0.74 P2RX3 (0.45) P2RX3P2RX2GRIN2BMCHR1
SCHEMBL2846226 0.72 TRPV1 (0.57) TRPV1
SCHEMBL2847843 0.72 TRPV1 (0.40) TRPV1
SCHEMBL8251107 0.70 TRPV1 (0.52) TRPV1
SCHEMBL4868312 0.70 APP (0.41) TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 — — EP disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 — — WO disclosed