SCHEMBL5607643

SCHEMBL5607643

CCCCCCOc1ccc(NC(=O)Nc2nc(C)c(C(=O)Nc3c(C)cc(C)cc3C)s2)cc1.Cc1cc(C)c(NC(=O)c2cncs2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.56
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL774945 0.91 LCK (0.66) LCKMAPTMEN1KMT2APOLB
SCHEMBL774478 0.85 LCK (0.75) LCKMAPTMEN1KMT2AKDM4E
SCHEMBL5608168 0.82 LCK (0.53) LCKMAPTMEN1KMT2APOLB
SCHEMBL6658908 0.80 LCK (0.68) LCKMAPTMEN1KMT2ANPC1
SCHEMBL774329 0.80 LCK (0.68) LCKMAPTMEN1KMT2ANPC1
SCHEMBL773540 0.79 LCK (0.65) LCKMAPTMEN1KMT2ANPC1
SCHEMBL774093 0.78 LCK (0.78) LCKMAPTPOLBKDM4ENPC1
SCHEMBL774521 0.76 LCK (0.85) LCKKMT2AKDM4ENPC1RAB9A
SCHEMBL773925 0.76 LCK (0.74) LCKMAPTMEN1KMT2ANPC1
SCHEMBL774511 0.74 LCK (0.71) LCKMAPTMEN1KMT2ANPC1

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 disclosed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed