SCHEMBL1539957

SCHEMBL1539957

Cc1cc(C)c(NC(=O)c2sc(NCc3ccccc3C(=O)O)nc2C)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.64
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL774200 0.84 LCK (0.77) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL772206 0.80 LCK (0.67) LCKALDH1A1SMN1; SMN2KMT2A
SCHEMBL773950 0.80 LCK (0.67) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5607804 0.78 LCK (0.71) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18047823 0.78 LCK (0.65) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL773819 0.78 LCK (1.00) LCKNPC1RAB9ASMN1; SMN2
SCHEMBL773488 0.77 LCK (0.82) LCK
SCHEMBL774793 0.77 LCK (1.00) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL774406 0.77 LCK (0.64) LCKRAB9ASMN1; SMN2MAPT
SCHEMBL5608004 0.77 LCK (0.69) LCKNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222619-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2017-09-27 EP disclosed
EP-1169038-B9 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-10 EP disclosed
EP-1169038-B1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-08 EP disclosed
EP-2308833-A2 Cyclic protein tyrosine kinase inhibitors Bristol-Myers Squibb Company (US) 2011-04-13 EP disclosed