SCHEMBL902224

SCHEMBL902224

COc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.55
MTOR P42345 1/20 0.43
SMG1 Q96Q15 1/20 0.43
TP53 P04637 2/20 0.40
MAPK10 P53779 1/20 0.40
GRM5 P41594 1/20 0.40
DYRK1A Q13627 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL1704732 0.89 KARS1 (0.52) KARS1
SCHEMBL901973 0.87 KARS1 (0.69) KARS1MTORSMG1TP53DYRK1A
SCHEMBL1704272 0.86 KARS1 (0.74) KARS1DYRK1A
SCHEMBL901752 0.86 KARS1 (0.73) KARS1DYRK1A
SCHEMBL902003 0.86 KARS1 (0.61) KARS1SMG1LMNAMAPK1
SCHEMBL901757 0.86 KARS1 (0.66) KARS1DYRK1A
SCHEMBL902386 0.85 KARS1 (0.75) KARS1
SCHEMBL901988 0.85 KARS1 (0.55) KARS1DYRK1A
SCHEMBL902013 0.85 KARS1 (0.58) KARS1SMG1
SCHEMBL902071 0.84 KARS1 (0.72) 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
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