SCHEMBL10952467

SCHEMBL10952467

CCCCCc1nc2nnccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
GPR84 Q9NQS5 5/20 0.41
POLB P06746 1/20 0.40
GSK3B P49841 1/20 0.37
KMT2A Q03164 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL246326 0.78 PDE5A (0.53) PI4KAPI4K2BPI4K2API4KBPOLB
SCHEMBL8326986 0.73 NOS1 (0.54) POLBNOS3NOS1NOS2
SCHEMBL10650966 0.72 POLB (0.51) POLBGSK3BKMT2A
SCHEMBL9703975 0.70 PARP1 (0.40) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL10439327 0.70 PARP1 (0.40) PI4KAPI4K2BPI4K2API4KBPOLB
SCHEMBL9704776 0.70 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBPOLB
SCHEMBL4046923 0.69 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL170803 0.69 POLB (0.83) POLB
SCHEMBL30823858 0.69 POLB (0.83) POLB
SCHEMBL8641790 0.69 PARP1 (0.39) PI4KAPI4K2BPI4K2API4KBGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 EP claimed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 EP claimed
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 EP disclosed
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 EP disclosed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 EP disclosed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 EP disclosed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 EP disclosed