SCHEMBL12469502

SCHEMBL12469502

Cc1ccnc(Nc2cccc(-c3ccnc(NCCCNC(=O)O)c3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.74
SYK P43405 2/20 0.44
CDK1 P06493 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
CDK2 P24941 2/20 0.43
MTOR P42345 2/20 0.43
SMG1 Q96Q15 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43

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
SCHEMBL901307 0.94 KARS1 (0.77) KARS1SYKNPC1MAPTHTT
SCHEMBL1755683 0.85 KARS1 (1.00) KARS1SYKCDK1NPC1MAPT
SCHEMBL901241 0.85 KARS1 (1.00) KARS1SYKCDK1NPC1MAPT
SCHEMBL1704304 0.84 KARS1 (0.72) KARS1SYKCDK1NPC1MAPT
SCHEMBL901741 0.84 KARS1 (0.74) KARS1SYKNPC1MAPTHTT
SCHEMBL10268092 0.83 KARS1 (1.00) KARS1SYKNPC1RAB9AMEN1
SCHEMBL901754 0.82 KARS1 (0.58) KARS1CDK1NPC1MAPTHTT
SCHEMBL12469132 0.82 KARS1 (0.72) KARS1SYKNPC1MAPTHTT
SCHEMBL901879 0.82 KARS1 (0.71) KARS1SYKCDK1NPC1MAPT
SCHEMBL1704345 0.82 KARS1 (0.59) KARS1SYK

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