SCHEMBL4863711

SCHEMBL4863711

CCNC(=O)Nc1nc2ccc(C(=O)Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.57
MAPK14 Q16539 2/20 0.57
KIT P10721 1/20 0.57
SRC P12931 1/20 0.57
CSF1R P07333 1/20 0.56
HTT P42858 1/20 0.55
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 3/20 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
PIK3CD O00329 1/20 0.52
KCNT1 Q5JUK3 1/20 0.52
APEX1 P27695 1/20 0.51
KDR P35968 1/20 0.50
DDR1 Q08345 1/20 0.50

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
SCHEMBL14042708 0.94 BRAF (0.61) LCKMAPK14KITSRCCSF1R
SCHEMBL14042254 0.94 LCK (0.56) LCKMAPK14KITSRCCSF1R
SCHEMBL14042467 0.92 LCK (0.61) LCKMAPK14KITSRCCSF1R
SCHEMBL14042474 0.91 LCK (0.58) LCKMAPK14KITSRCCSF1R
SCHEMBL4746517 0.90 LCK (0.63) LCKMAPK14KITSRCCSF1R
SCHEMBL14042664 0.89 LCK (0.51) LCKMAPK14KITSRCCSF1R
SCHEMBL14042471 0.89 LCK (0.65) LCKMAPK14KITSRCCSF1R
SCHEMBL14042656 0.89 LCK (0.53) LCKMAPK14KITSRCCSF1R
SCHEMBL14042261 0.89 LCK (0.57) LCKMAPK14KITSRCCSF1R
SCHEMBL14042720 0.89 LCK (0.55) LCKMAPK14KITSRCCSF1R

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