SCHEMBL13812271

SCHEMBL13812271

COCCNC(=O)c1ccc2[nH]nc(-c3ccc4cc(OC[C@@H]5CCCN5)ccc4c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
MAPK1 P28482 6/20 0.48
FLT3 P36888 3/20 0.48
MAP3K5 Q99683 1/20 0.45
MAPK3 P27361 1/20 0.42
ABL1 P00519 1/20 0.42
CHEK2 O96017 1/20 0.41
MET P08581 1/20 0.41
PRKCZ Q05513 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL13812270 0.91 FLT3 (0.43) TRPA1MAPK1FLT3MAPK3PRKCZ
SCHEMBL13812109 0.89 MAPK1 (0.42) MAPK1MAPK3PRKCZLTA4H
SCHEMBL13812273 0.87 JAK2 (0.43) PRKCZLTA4H
SCHEMBL13811901 0.85 PRKCZ (0.40) PRKCZLTA4H
SCHEMBL13877029 0.83 TRPA1 (0.48) TRPA1MAPK1FLT3MAP3K5
SCHEMBL13811895 0.83 FLT3 (0.58) TRPA1MAPK1FLT3MAP3K5MAPK3
SCHEMBL13812074 0.76 MAPK1 (0.44) MAPK1FLT3
SCHEMBL4171229 0.75 FLT3 (0.44) MAPK1FLT3
SCHEMBL4171226 0.75 FLT3 (0.44) MAPK1FLT3
SCHEMBL13812110 0.74 FLT3 (0.43) MAPK1FLT3

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
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed