SCHEMBL5607326

SCHEMBL5607326

CCCCNC(=O)Nc1nc(C)c(C(=O)Nc2c(C)cc(C)cc2Br)s1.Cc1ncsc1C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.70
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL774897 0.90 LCK (0.86) LCKNPC1RAB9ASMN1; SMN2
SCHEMBL773918 0.83 LCK (1.00) LCKNPC1RAB9ASMN1; SMN2
SCHEMBL5608158 0.80 LCK (0.69) LCK
SCHEMBL774822 0.80 LCK (0.92) LCKNPC1RAB9ASMN1; SMN2
SCHEMBL774081 0.80 LCK (0.92) LCKNPC1RAB9ASMN1; SMN2
SCHEMBL772665 0.80 LCK (0.84) LCKNPC1RAB9ASMN1; SMN2
SCHEMBL773854 0.78 LCK (0.87) LCK
SCHEMBL773377 0.77 LCK (0.76) LCKNPC1RAB9ASMN1; SMN2
SCHEMBL772952 0.77 LCK (0.76) LCKNPC1RAB9ASMN1; SMN2
SCHEMBL772499 0.77 LCK (0.85) LCK

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
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP claimed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO claimed