SCHEMBL901973

SCHEMBL901973

COc1ccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.69
MAPT P10636 2/20 0.43
CYP2C19 P33261 1/20 0.43
DYRK1A Q13627 2/20 0.42
TP53 P04637 1/20 0.40
SYK P43405 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MTOR P42345 1/20 0.39
SMG1 Q96Q15 1/20 0.39

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
SCHEMBL902079 0.93 KARS1 (0.70) KARS1DYRK1A
SCHEMBL901421 0.91 KARS1 (0.82) KARS1DYRK1A
SCHEMBL1704921 0.91 KARS1 (0.63) KARS1MAPTCYP2C19SYK
SCHEMBL901956 0.90 KARS1 (0.83) KARS1MAPTCYP2C19
SCHEMBL901833 0.90 KARS1 (0.72) KARS1DYRK1ARAB9A
SCHEMBL902033 0.89 KARS1 (0.72) KARS1DYRK1A
SCHEMBL901978 0.89 KARS1 (0.65) KARS1DYRK1A
SCHEMBL901791 0.88 KARS1 (0.81) KARS1DYRK1A
SCHEMBL901804 0.88 KARS1 (0.68) KARS1DYRK1ARAB9A
SCHEMBL902036 0.88 KARS1 (0.81) KARS1MAPTDYRK1A

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