SCHEMBL20008420

SCHEMBL20008420

CNc1cnc2c(c1)/C2=C/N=C(/C#N)C(=N)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.43
RAB9A P51151 14/20 0.43
SMN1; SMN2 Q16637 12/20 0.43
MAPT P10636 12/20 0.43
ALDH1A1 P00352 8/20 0.43
NFKB1 P19838 7/20 0.43
NFKB2 Q00653 7/20 0.43
RELA Q04206 7/20 0.43
KMT2A Q03164 6/20 0.43
GFER P55789 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.31

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
SCHEMBL20008317 0.62 CNR2 (0.33) KMT2AMEN1HTT
SCHEMBL20008137 0.55 PIK3C3 (0.31)
SCHEMBL20009507 0.55 MAPT (0.33) MAPTALDH1A1ALOX12
SCHEMBL20008786 0.53 RAF1 (0.46) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL20209312 0.52 HPGD (0.52) SMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL20008890 0.52 RAF1 (0.49)
SCHEMBL20008475 0.52 RAF1 (0.39)
SCHEMBL26739776 0.51 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1KMT2APOLB
SCHEMBL26739736 0.51 ALDH1A1 (0.40) NPC1ALDH1A1MAPK1TP53HTT
SCHEMBL19382084 0.51 KIT (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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