SCHEMBL956057

SCHEMBL956057

O=C(Nc1cccc(-c2cncn2C2CC2)n1)c1cc(-c2cccnc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.49
CSNK1D P48730 2/20 0.44
CSNK1E P49674 2/20 0.44
GRM5 P41594 2/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL945228 0.89 MAP3K5 (0.46) MAP3K5GRM5
SCHEMBL945110 0.87 MAP3K5 (0.44) MAP3K5GRM5
SCHEMBL943940 0.86 MAP3K5 (0.45) MAP3K5GRM5GSK3B
SCHEMBL944987 0.86 MYLK (0.54) MAP3K5
SCHEMBL945108 0.86 MAP3K5 (0.45) MAP3K5GRM5
SCHEMBL944169 0.84 MAP3K5 (0.47) MAP3K5GRM5ABL1
SCHEMBL945475 0.80 MAP3K5 (0.43) MAP3K5GRM5
SCHEMBL946361 0.76 MAP3K5 (0.53) MAP3K5GSK3BDYRK1AABL1
SCHEMBL16382217 0.75 MAP3K5 (0.38) MAP3K5GRM5
SCHEMBL945270 0.75 MAP3K5 (0.52) MAP3K5GRM5ABL1

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-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO disclosed