SCHEMBL7230871

SCHEMBL7230871

COc1cccnc1-c1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.50
FYN P06241 2/20 0.47
MEN1 O00255 2/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
NPC1 O15118 2/20 0.42
CD63 P08962 1/20 0.42
SYK P43405 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 1/20 0.41
CDK5 Q00535 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ALOX5AP P20292 1/20 0.41
KIT P10721 2/20 0.41

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
SCHEMBL28824499 0.82 CLK4 (0.62) NPC1ALDH1A1CYP3A4RAB9ACDK5
SCHEMBL3865219 0.81 SYK (0.48) FYNMEN1NPC1SYKALDH1A1
SCHEMBL27504690 0.81 MAP4K4 (0.44) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL15674640 0.81 PDE4B (0.53) NPC1
SCHEMBL15674440 0.81 PDGFRB (0.51) MAP4K4FYNSYKKITNTRK1
SCHEMBL28478552 0.81 DYRK1A (0.55) MEN1ALDH1A1KMT2AALOX5APPLAU
SCHEMBL30591983 0.81 DYRK1A (0.55) MEN1ALDH1A1KMT2AALOX5APPLAU
SCHEMBL7230492 0.80 MAP4K4 (0.43) MAP4K4FYNMEN1PSIP1AXL
SCHEMBL987247 0.79 SYK (0.51) SYKALDH1A1KMT2APLAU
SCHEMBL7229215 0.78 CYP2A6 (0.56) MAP4K4MEN1PSIP1AXLMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed