SCHEMBL20008406

SCHEMBL20008406

C=C/C=C(\C=C(/N(C)C)N1CCCCC1)c1cc(NC(=O)c2ccnc(SC)c2)cnc1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.33
BRAF P15056 17/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL20008405 0.68 OPRK1 (0.32) HPGD
SCHEMBL20009148 0.66 RAF1 (0.51) RAF1BRAF
SCHEMBL22562129 0.61 RAF1 (0.52) RAF1BRAF
SCHEMBL20008497 0.59 BRAF (0.45) RAF1BRAF
SCHEMBL15962693 0.57 RAB9A (0.54) HPGD
SCHEMBL20008179 0.56 MAPT (0.31) MAPT
SCHEMBL20008594 0.56 RAF1 (0.47) RAF1BRAF
SCHEMBL20009513 0.56
SCHEMBL20008137 0.56 PIK3C3 (0.31)
SCHEMBL18484474 0.55 SMYD3 (0.51) HPGD

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