SCHEMBL14102482

SCHEMBL14102482

c1cc(C2CNC2)c2cn[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.49
AXL P30530 2/20 0.49
MET P08581 1/20 0.47
IDO1 P14902 1/20 0.46
METAP2 P50579 1/20 0.45
TRPV1 Q8NER1 7/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 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
Hydrochloric Acid SCHEMBL4683856 0.98 NOS1 (0.47) NOS1AXLMETIDO1METAP2
SCHEMBL22619200 0.87 NOS1 (0.44) NOS1AXLMETIDO1METAP2
Trifluoroacetic Acid SCHEMBL4687032 0.86 TRPV1 (0.44) AXLTRPV1
SCHEMBL7775075 0.85 HTR2A (0.43) NOS1AXLMETTRPV1
SCHEMBL17053409 0.79 MET (0.50) NOS1AXLMETIDO1METAP2
SCHEMBL3671316 0.76 TRPV1 (0.47) NOS1AXLMETIDO1TRPV1
SCHEMBL4684070 0.76 MET (0.45) NOS1AXLMETIDO1METAP2
SCHEMBL22808947 0.75 MET (0.44) NOS1AXLMETIDO1METAP2
SCHEMBL4686484 0.74 SLC6A4 (0.44) NOS1AXLMETIDO1METAP2
SCHEMBL8082211 0.74 MET (0.49) NOS1AXLMETIDO1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP disclosed