SCHEMBL6160715

SCHEMBL6160715

COc1cccc2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.65
RAB9A P51151 5/20 0.65
KDR P35968 2/20 0.64
PDGFRB P09619 1/20 0.64
FGFR1 P11362 1/20 0.64
AMY1A P0DUB6 3/20 0.58
SLC2A1 P11166 1/20 0.54
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CASP3 P42574 1/20 0.48
ATM Q13315 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
GUSB P08236 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL3504233 0.84 KDR (0.68) NPC1RAB9AKDRPDGFRBFGFR1
SCHEMBL3502778 0.79 KDR (0.61) NPC1RAB9AKDRPDGFRBFGFR1
SCHEMBL12388199 0.79 NPC1 (1.00) NPC1RAB9AKDRPDGFRBFGFR1
SCHEMBL3503147 0.79 KDR (1.00) NPC1RAB9AKDRPDGFRBFGFR1
SCHEMBL6170201 0.78 NPC1 (0.62) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2096956 0.77 AMY1A (0.76) NPC1RAB9AAMY1ASLC2A1MAPT
SCHEMBL31027930 0.77 AMY1A (0.76) NPC1RAB9AAMY1ASLC2A1MAPT
SCHEMBL3501389 0.77 KDR (0.69) NPC1RAB9AKDRPDGFRBFGFR1
SCHEMBL31429666 0.74 AMY1A (0.71) NPC1RAB9AAMY1ASLC2A1MAPT
SCHEMBL7393458 0.74 AMY1A (0.71) NPC1RAB9AAMY1ASLC2A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226119-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-03-16 EP disclosed
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
EP-1226119-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2003-04-09 EP disclosed
US-6479512-B1 TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. MERCK & CO., INC. 2002-11-12 US disclosed
EP-1226119-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2002-07-31 EP disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 WO disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed