SCHEMBL9230218

SCHEMBL9230218

CC12OCCN1C(=O)Nc1ccncc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.34
NFE2L2 Q16236 3/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HASPIN Q8TF76 1/20 0.33
LATS1 O95835 1/20 0.33
PLD2 O14939 1/20 0.32
PLD1 Q13393 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
AVPR1A P37288 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 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
SCHEMBL9225797 0.77 OPRL1 (0.35)
SCHEMBL9228555 0.74 ALOX5 (0.32) KEAP1NFE2L2
SCHEMBL9228833 0.73 ALOX5 (0.34)
SCHEMBL9043945 0.72 AR (0.31) PLD2PLD1GSK3AGSK3B
SCHEMBL13847291 0.67 AR (0.36) CCNCCDK8HASPINGSK3AGSK3B
SCHEMBL27947140 0.65 PDK2 (0.55)
SCHEMBL9044793 0.63 GAA (0.32) GSK3AGSK3B
SCHEMBL24389994 0.63 PDK2 (0.39) CCNCCDK8HASPIN
SCHEMBL9200390 0.63 NPC1 (0.42)
SCHEMBL15650500 0.62 EPHX2 (0.49) CCNCCDK8HASPIN

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-0640087-A1 USE OF TRICYCLIC PYRIMIDINE DERIVATIVES AS ANTI-VIRAL MEDICAMENTS Roche Diagnostics GmbH (DE) 1995-03-01 EP disclosed
WO-1993023405-A1 USE OF TRICYCLIC PYRIMIDINE DERIVATIVES AS ANTI-VIRAL MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1993-11-25 WO disclosed