SCHEMBL7992089

SCHEMBL7992089

O=C(O)c1nc(-c2ccccc2)[nH]c1-c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.62
MAPK13 O15264 10/20 0.62
MAPK12 P53778 10/20 0.62
MAPK11 Q15759 10/20 0.62
RAF1 P04049 7/20 0.62
MAPK9 P45984 1/20 0.62
PIN1 Q13526 2/20 0.59
CYP1A2 P05177 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP1 P29466 1/20 0.59
CYP2C19 P33261 1/20 0.59
BRAF P15056 3/20 0.57
RNASEH1 O60930 1/20 0.55
ERCC1 P07992 1/20 0.55
FEN1 P39748 1/20 0.55
ERCC4 Q92889 1/20 0.55
BRDT Q58F21 1/20 0.55
GCGR P47871 4/20 0.54
ALOX5 P09917 1/20 0.54
CSNK1D P48730 1/20 0.52

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
SCHEMBL29093221 0.92 PIN1 (0.69) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL7977738 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7989925 0.87 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7992159 0.87 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7992039 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7977930 0.85 PIN1 (0.56) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL7995495 0.83 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7989653 0.83 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL15075613 0.83 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7978027 0.83 KDM4E (0.67) MAPK14PIN1CYP1A2MAPK1CASP1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed