SCHEMBL901941

SCHEMBL901941

O=C(Nc1cc(Br)nc(Nc2cnccn2)c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 5/20 0.56
JAK2 O60674 3/20 0.50
TYK2 P29597 3/20 0.50
JAK1 P23458 1/20 0.50
NAMPT P43490 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
KCNK3 O14649 2/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRKD3 O94806 1/20 0.44
ABL1 P00519 1/20 0.44
PRKCG P05129 1/20 0.44

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
SCHEMBL1704879 0.79 KARS1 (0.68) KARS1JAK2TYK2JAK1SIRT2
SCHEMBL902678 0.78 KCNK3 (0.59) JAK2TYK2KCNK3KMT2AKDM4E
SCHEMBL45148 0.77 KMT2A (0.73) JAK2TYK2NAMPTSIRT2KMT2A
SCHEMBL29238994 0.75 KMT2A (0.71) JAK2TYK2NAMPTSIRT2KMT2A
SCHEMBL30533391 0.75 KMT2A (0.71) JAK2TYK2NAMPTSIRT2KMT2A
SCHEMBL1704285 0.75 KDR (0.48) KARS1JAK2TYK2JAK1SIRT2
SCHEMBL901298 0.73 KARS1 (0.64) KARS1JAK2TYK2JAK1SIRT2
SCHEMBL901763 0.73 KARS1 (1.00) KARS1PRKD1
SCHEMBL24150224 0.71 JAK2 (0.60) JAK2TYK2NAMPTKCNK3KMT2A
SCHEMBL901939 0.70 SYK (0.40) KARS1JAK2TYK2JAK1SIRT2

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