SCHEMBL14873241

SCHEMBL14873241

CCc1n[nH]c2ccc(C(=O)N[C@H](C)c3cccs3)cc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.47
MAPK3 P27361 9/20 0.47
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CSNK1D P48730 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
TTK P33981 1/20 0.39

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
SCHEMBL14863425 0.85 MAPK1 (0.48) MAPK1MAPK3ALDH1A1POLBMAPT
SCHEMBL14863426 0.85 MAPK1 (0.48) MAPK1MAPK3ALDH1A1POLBMAPT
SCHEMBL18108519 0.79 PDE4A (0.47) MAPK1MAPK3MAPTHPGD
SCHEMBL14863473 0.76 MAPK1 (0.50) MAPK1MAPK3TTK
SCHEMBL14863472 0.76 MAPK1 (0.50) MAPK1MAPK3TTK
SCHEMBL4781046 0.76 JAK2 (0.48) MAPK1MAPK3ALDH1A1POLBMAPT
SCHEMBL14873314 0.75 MAPK1 (0.50) MAPK1MAPK3TTK
SCHEMBL15476719 0.75 MAPK1 (0.50) MAPK1MAPK3TTK
SCHEMBL18108614 0.74 AURKA (0.59)
SCHEMBL21012193 0.74 AURKA (0.50)

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-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed