SCHEMBL1704662

SCHEMBL1704662

Cc1ccnc(Nc2cccc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.72
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
SMG1 Q96Q15 1/20 0.46
SYK P43405 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP3K12 Q12852 2/20 0.43
GRM5 P41594 1/20 0.42

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
SCHEMBL1704434 0.96 KARS1 (0.68) KARS1CDK1CDK2SMG1SYK
SCHEMBL901697 0.87 KARS1 (0.65) KARS1SYK
SCHEMBL902051 0.87 KARS1 (0.55) KARS1SYKMAP3K12
SCHEMBL1705645 0.87 KARS1 (0.56) KARS1SYK
SCHEMBL902071 0.86 KARS1 (0.72) KARS1
SCHEMBL1704409 0.86 KARS1 (0.73) KARS1SMG1SYK
SCHEMBL901944 0.86 KARS1 (0.75) KARS1CDK1CDK2SMG1SYK
SCHEMBL901785 0.85 KARS1 (0.53) KARS1CDK1CDK2SMG1
SCHEMBL901674 0.84 KARS1 (0.62) KARS1SYK
SCHEMBL901824 0.84 KARS1 (1.00) KARS1

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed