SCHEMBL20008394

SCHEMBL20008394

CNc1cnc(C)c(C(=C/NC=O)/C=C(\C)N2CCOCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 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
SCHEMBL20008388 0.90 KDM4E (0.31) KDM4ENPC1SMN1; SMN2HSD17B10CCNT1
SCHEMBL20009447 0.90 MAPT (0.33) ALDH1A1GAA
SCHEMBL20008379 0.83
SCHEMBL20008179 0.79 MAPT (0.31)
SCHEMBL20009507 0.78 MAPT (0.33) ALDH1A1
SCHEMBL20009505 0.74
SCHEMBL20008173 0.74
SCHEMBL20008522 0.68 MAPT (0.30)
SCHEMBL20008321 0.67 OPRK1 (0.32) ALDH1A1
SCHEMBL20008150 0.65 RAB9A (0.41) RAB9ANPSR1KMT2AKDM4EALDH1A1

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