SCHEMBL901879

SCHEMBL901879

Cc1ccnc(Nc2cccc(-c3ccnc(NCCOC(N)=O)c3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.71
IRAK4 Q9NWZ3 1/20 0.46
SYK P43405 2/20 0.43
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
JAK2 O60674 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL1704304 0.94 KARS1 (0.72) KARS1IRAK4SYKMEN1NPC1
SCHEMBL901894 0.84 KARS1 (0.71) KARS1SYKMEN1NPC1KMT2A
SCHEMBL901307 0.84 KARS1 (0.77) KARS1SYKMEN1NPC1KMT2A
SCHEMBL10268092 0.83 KARS1 (1.00) KARS1SYKMEN1NPC1KMT2A
SCHEMBL901241 0.83 KARS1 (1.00) KARS1SYKMEN1NPC1KMT2A
SCHEMBL12469502 0.82 KARS1 (0.74) KARS1SYKMEN1NPC1KMT2A
SCHEMBL1755683 0.81 KARS1 (1.00) KARS1SYKNPC1MAPTHTT
SCHEMBL901655 0.78 KARS1 (0.70) KARS1SYKMEN1NPC1KMT2A
SCHEMBL1755624 0.76 KARS1 (0.79) KARS1SYKMEN1NPC1KMT2A
SCHEMBL901741 0.74 KARS1 (0.74) KARS1SYKMEN1NPC1KMT2A

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed