SCHEMBL20008224

SCHEMBL20008224

COC(=N)/C=C\C(=N)c1cc(C)cnc1C

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.37

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
SCHEMBL20009921 0.72
SCHEMBL12024798 0.69 ATM (0.50) OPRK1
SCHEMBL24385608 0.64 CCR1 (0.33)
SCHEMBL6626587 0.63 SMN1; SMN2 (0.56) OPRK1
SCHEMBL612856 0.63 KDM4E (0.48)
SCHEMBL17382227 0.61 PARP1 (0.53)
SCHEMBL9508567 0.61 KDM4E (0.47)
SCHEMBL30711736 0.61 PARP1 (0.53)
SCHEMBL18633979 0.61 KDM4E (0.33)
SCHEMBL21886192 0.61 CCR1 (0.31)

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed