SCHEMBL7555673

SCHEMBL7555673

CCCCCCSc1nccc(-n2cnc3cc(NC(=O)OC(C)(C)C)ccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ATM Q13315 1/20 0.37
LCK P06239 1/20 0.37
SREBF2 Q12772 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NR1I2 O75469 1/20 0.36
GNRHR P30968 1/20 0.36
ADRA2B P18089 1/20 0.35
NR1I3 Q14994 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL7019700 0.85 NPC1 (0.42) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7021644 0.77 MAP3K14 (0.39) SMN1; SMN2MEN1KMT2AMKNK2LCK
SCHEMBL7021734 0.77 LCK (0.47) MAPTSMN1; SMN2LMNAHPGDMEN1
SCHEMBL7021521 0.77 NPC1 (0.41) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7022025 0.76 MAP3K14 (0.36) SMN1; SMN2MEN1KMT2AMKNK2LCK
SCHEMBL7019434 0.75 LCK (0.49) LMNAHPGDMKNK2LCK
SCHEMBL7024505 0.75 ROCK1 (0.51) MKNK2LCK
SCHEMBL7549868 0.73 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7590572 0.68 LCK (0.52) MKNK2LCKALDH1A1
SCHEMBL7020292 0.68 LCK (0.51) MKNK2LCK

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