SCHEMBL7626085

SCHEMBL7626085

Cc1ccc2ccccc2c1NC(=O)c1ccc2nc(OC(N)=O)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7624309 0.89 ALDH1A1 (0.52) LCKALDH1A1
SCHEMBL7631048 0.88 LCK (0.61) LCKALDH1A1
SCHEMBL7631046 0.83 LCK (0.70) LCK
SCHEMBL7628467 0.83 LCK (0.67) LCK
SCHEMBL6058332 0.82 LCK (0.63) LCK
SCHEMBL7626181 0.82 LCK (0.62) LCK
SCHEMBL7672583 0.81 RAB9A (0.54) NPC1RAB9AALDH1A1LMNA
SCHEMBL7623796 0.80 LCK (0.52) LCK
SCHEMBL7629155 0.80 LCK (0.47) LCKNPC1RAB9A
SCHEMBL7627306 0.80 ALDH1A1 (0.49) LCKNPC1RAB9AALDH1A1LMNA

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