SCHEMBL901655

SCHEMBL901655

Cc1ccnc(Nc2cccc(-c3cccc(C(N)=O)c3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.70
JAK2 O60674 1/20 0.52
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
IGF1R P08069 1/20 0.48
LTK P29376 1/20 0.48
KDR P35968 1/20 0.48
MAP2K2 P36507 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CDK5 Q00535 1/20 0.48
MAP2K1 Q02750 1/20 0.48
ACVR1 Q04771 1/20 0.48

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
SCHEMBL10268299 0.88 KARS1 (0.70) KARS1JAK2MAP4K4ABL1LCK
SCHEMBL14673243 0.87 KARS1 (0.54) KARS1JAK2KDRKDM4EMEN1
SCHEMBL902728 0.83 KARS1 (1.00) KARS1MAP4K4ABL1LCKFYN
SCHEMBL1755624 0.81 KARS1 (0.79) KARS1MAP4K4ABL1LCKFYN
SCHEMBL842300 0.80 PARP1 (0.61) ABL1FYNMAP2K4
SCHEMBL901894 0.80 KARS1 (0.71) KARS1JAK2MAP4K4ABL1LCK
SCHEMBL902781 0.80 KARS1 (1.00) KARS1MAP4K4ABL1LCKFYN
SCHEMBL2225561 0.79 KARS1 (0.53) KARS1JAK2KDRKDM4EMEN1
SCHEMBL2869562 0.79 KARS1 (0.55) KARS1JAK2KDRKDM4EMEN1
SCHEMBL902672 0.78 KARS1 (0.74) KARS1MAP4K4ABL1LCKFYN

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