SCHEMBL7948803

SCHEMBL7948803

O=Nc1cnc(C2CC2)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.41
CDK7 P50613 2/20 0.30
CDK9 P50750 2/20 0.30

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
SCHEMBL3017328 0.75 PDE10A (0.48) PDE10ACDK7CDK9
SCHEMBL1688394 0.72 TYRO3 (0.34)
SCHEMBL1294520 0.72 PIN1 (0.44) PDE10A
SCHEMBL16838271 0.72 PDE10A (0.55) PDE10A
SCHEMBL8400864 0.69
SCHEMBL12476433 0.69 MAPT (0.41)
SCHEMBL30283284 0.68 PDE10A (0.41) PDE10A
SCHEMBL26234898 0.68 PDE10A (0.41) PDE10A
SCHEMBL30829012 0.68 PDE10A (0.46) PDE10A
SCHEMBL3826088 0.67 PDE10A (0.39) PDE10ACDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364313-B1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-01-08 EP disclosed
WO-2010030500-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 WO disclosed