SCHEMBL5607634

SCHEMBL5607634

COc1ccccc1C(=O)CCNc1nc(C)c(C(=O)Nc2c(C)cc(C)cc2C)s1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.56
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL5607804 0.84 LCK (0.71) LCKALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5607823 0.83 LCK (0.58) LCKMAPTNPC1RAB9A
SCHEMBL7635041 0.83 LCK (0.59) LCK
SCHEMBL3720281 0.80 LCK (0.61) LCKALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL774712 0.79 LCK (0.61) LCKKDM4EALDH1A1KMT2A
SCHEMBL5608004 0.79 LCK (0.69) LCKALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL772502 0.78 LCK (0.66) LCKKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL774071 0.77 LCK (0.72) LCKKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1539957 0.76 LCK (0.64) LCKALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL773079 0.75 LCK (0.64) LCKALDH1A1SMN1; SMN2NPC1RAB9A

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 5 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
EP-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP claimed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP claimed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO claimed