SCHEMBL4788992

SCHEMBL4788992

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.65
KIT P10721 1/20 0.57
SRC P12931 1/20 0.57
MAPK14 Q16539 1/20 0.57
CSF1R P07333 1/20 0.56
HTT P42858 1/20 0.55
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
BRAF P15056 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
KCNT1 Q5JUK3 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
SCHEMBL4746797 0.94 LCK (0.64) LCKKITCSF1RBRAF
SCHEMBL4746517 0.90 LCK (0.63) LCKKITSRCMAPK14CSF1R
SCHEMBL14042471 0.88 LCK (0.65) LCKKITSRCMAPK14CSF1R
SCHEMBL4750073 0.87 BRAF (0.64) LCKKITSRCMAPK14CSF1R
SCHEMBL4863711 0.85 LCK (0.57) LCKKITSRCMAPK14CSF1R
SCHEMBL14042261 0.85 LCK (0.57) LCKKITSRCMAPK14CSF1R
SCHEMBL14042457 0.85 BRAF (0.61) LCKKITSRCMAPK14CSF1R
SCHEMBL4788996 0.84 LCK (0.57) LCKHTTKDM4EMAPTBRAF
SCHEMBL14042454 0.84 CSNK1D (0.66) LCKKITSRCMAPK14CSF1R
SCHEMBL14042661 0.84 BRAF (0.65) LCKKITSRCMAPK14CSF1R

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
WO-2008124393-A1 BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-16 WO disclosed
WO-2008124393-A1 BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-16 WO disclosed