SCHEMBL902190

SCHEMBL902190

c1cc(Nc2cnccn2)nc(-c2ccncc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.58
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDR P35968 1/20 0.44
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
BLM P54132 1/20 0.40
MAP3K5 Q99683 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CLK1 P49759 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL902695 0.83 KARS1 (0.60) KARS1MAPTMAPK1
SCHEMBL1755668 0.83 KARS1 (0.60) KARS1MAPTKDR
SCHEMBL4902982 0.81 SMN1; SMN2 (0.52) KARS1MAPTMAPK1NPC1TP53
SCHEMBL1755667 0.78 KARS1 (0.72) KARS1MAPTMAPK1NPC1RAB9A
SCHEMBL902672 0.78 KARS1 (0.74) KARS1NPC1RAB9AKDRABL1
SCHEMBL902681 0.76 KARS1 (0.70) KARS1KDRSRCALDH1A1
SCHEMBL31069511 0.76 KDR (0.48) KARS1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL901654 0.76 KDR (0.47) KARS1MAPK1NPC1TP53RAB9A
SCHEMBL902600 0.75 KARS1 (1.00) KARS1
SCHEMBL1704214 0.75 KARS1 (0.77) 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 2 patents. 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 claimed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed