SCHEMBL7628458

SCHEMBL7628458

COc1cc2nc(OC(N)=O)sc2cc1C(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
LCK P06239 12/20 0.44
CISD2 Q8N5K1 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7629232 0.86 LCK (0.45) LCKCISD2
SCHEMBL7626056 0.84 LCK (0.45) LCK
SCHEMBL6058057 0.82 LCK (0.53) LCKMAPT
SCHEMBL7631046 0.80 LCK (0.70) LCK
SCHEMBL7635519 0.80 LCK (0.57) PKMLCK
SCHEMBL7626156 0.79 PKM (0.53) PKMLCKCISD2
SCHEMBL7631673 0.78 LCK (0.46) PKMLCKMEN1KMT2A
SCHEMBL7632520 0.77 LCK (0.43) PKMLCKMEN1KMT2A
SCHEMBL6608789 0.76 LCK (0.66) LCKCISD2
SCHEMBL7625987 0.76 LCK (0.45) LCKCISD2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO disclosed