SCHEMBL20008388

SCHEMBL20008388

C=CN/C=C(\C=C(/C)N1CCOCC1)c1cc(NC)cnc1C

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 1/20 0.30
TAF1 P21675 1/20 0.30
CECR2 Q9BXF3 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 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
SCHEMBL20008394 0.90 RAB9A (0.33) KDM4ENPC1SMN1; SMN2HSD17B10CCNT1
SCHEMBL20008179 0.90 MAPT (0.31)
SCHEMBL20008379 0.83
SCHEMBL20009447 0.79 MAPT (0.33)
SCHEMBL20009507 0.78 MAPT (0.33)
SCHEMBL20008522 0.78 MAPT (0.30)
SCHEMBL20008321 0.78 OPRK1 (0.32)
SCHEMBL20009505 0.74
SCHEMBL20008153 0.74
SCHEMBL20008164 0.73 MAPT (0.32) NPC1SMN1; SMN2

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