SCHEMBL901962

SCHEMBL901962

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1)c1ccc2ncccc2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.66
DYRK1A Q13627 3/20 0.41
SYK P43405 1/20 0.41
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
PABPC1 P11940 1/20 0.38
NAMPT P43490 1/20 0.38
WNT1 P04628 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
SCHEMBL901905 0.90 KARS1 (0.80) KARS1
SCHEMBL902800 0.90 KARS1 (0.60) KARS1DYRK1ASYK
SCHEMBL902036 0.89 KARS1 (0.81) KARS1DYRK1A
SCHEMBL901421 0.89 KARS1 (0.82) KARS1DYRK1A
SCHEMBL901833 0.87 KARS1 (0.72) KARS1DYRK1ARAB9ANAMPT
SCHEMBL901791 0.87 KARS1 (0.81) KARS1DYRK1A
SCHEMBL902079 0.86 KARS1 (0.70) KARS1DYRK1A
SCHEMBL901804 0.85 KARS1 (0.68) KARS1DYRK1ARAB9A
SCHEMBL901557 0.85 KARS1 (0.65) KARS1NPC1RAB9A
SCHEMBL901973 0.85 KARS1 (0.69) KARS1DYRK1ASYKNPC1RAB9A

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