SCHEMBL992381

SCHEMBL992381

CN1CCc2c(ncn2-c2ccnc(C(=O)N(c3ccccc3)c3nnc[nH]3)c2C2CC2)C1C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.31

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
SCHEMBL998164 0.73 ROCK1 (0.37)
SCHEMBL978875 0.70 HCAR2 (0.35)
SCHEMBL992382 0.69 RAD52 (0.33) P2RX7
SCHEMBL15409725 0.67 P2RX7 (0.40) P2RX7
SCHEMBL980672 0.63 PTGIR (0.35)
SCHEMBL15153028 0.62 HCAR2 (0.32)
SCHEMBL979099 0.61 NPSR1 (0.35)
SCHEMBL986289 0.60 HDAC6 (0.43)
SCHEMBL977783 0.57 S1PR3 (0.33)
SCHEMBL15153083 0.57

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-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO claimed