SCHEMBL7553642

SCHEMBL7553642

C=CCC(=O)Nc1ccc2c(c1)ncn2-c1ccnc(SC)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.43
LCK P06239 1/20 0.41
ADRA2B P18089 7/20 0.40
MKNK2 Q9HBH9 2/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAP3K14 Q99558 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL7549868 0.82 NPC1 (0.44) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL7552289 0.81 NPC1 (0.56) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL7019700 0.80 NPC1 (0.42) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL7022258 0.79 LCK (0.63) SMN1; SMN2NPC1RAB9ALMNALCK
SCHEMBL7027073 0.75 FGFR1 (0.54) LMNAHPGDLCKMKNK2ALDH1A1
SCHEMBL7020638 0.74 MKNK2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7576394 0.74 LCK (0.48) SMN1; SMN2NPC1RAB9ALMNALCK
SCHEMBL7494174 0.72 ROCK1 (0.44) SMN1; SMN2LMNALCKMKNK2ROCK1
SCHEMBL7018051 0.72 LCK (0.55) SMN1; SMN2LMNALCKROCK1ALDH1A1
SCHEMBL7020443 0.71 FGFR1 (0.43) LCKMKNK2ROCK1MAP3K14MKNK1

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-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 EP disclosed
EP-1206260-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US disclosed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed