SCHEMBL902737

SCHEMBL902737

FC(F)(F)c1ccnc(Nc2cccc(-c3cccc(C4=CCNCC4)c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 5/20 0.63
HTR2C P28335 3/20 0.57
IDH2 P48735 1/20 0.46
SYK P43405 3/20 0.43
MAP3K12 Q12852 6/20 0.42
SOS1 Q07889 1/20 0.42
CDK9 P50750 1/20 0.40

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
SCHEMBL901243 0.85 KARS1 (0.59) KARS1HTR2CSYK
SCHEMBL901538 0.82 KARS1 (0.60) KARS1HTR2CCDK9
SCHEMBL902090 0.78 KARS1 (0.55) KARS1IDH2SYK
SCHEMBL901925 0.77 KARS1 (0.67) KARS1HTR2CSYKMAP3K12
SCHEMBL901727 0.77 KARS1 (1.00) KARS1HTR2CSYKMAP3K12
SCHEMBL902609 0.76 HTR2C (0.44) KARS1HTR2C
SCHEMBL901740 0.75 KARS1 (1.00) KARS1SYKMAP3K12
SCHEMBL902909 0.75 KARS1 (0.63) KARS1IDH2SYK
SCHEMBL186156 0.74 HTR2C (1.00) HTR2CSOS1
SCHEMBL12469913 0.74 HTR2C (0.50) KARS1HTR2CSOS1CDK9

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 4 patents. 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed