SCHEMBL901761

SCHEMBL901761

Nc1cc(Nc2cnccn2)nc(-c2ccnc(C3=CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.54
CDK9 P50750 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
NAMPT P43490 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1704430 0.88 KARS1 (0.49) KARS1CDK9
SCHEMBL901564 0.86 KARS1 (0.42) KARS1CDK9GSK3BDYRK1ANAMPT
SCHEMBL901565 0.86 KARS1 (0.42) KARS1CDK9GSK3BDYRK1ANAMPT
SCHEMBL901948 0.82 KARS1 (0.46) KARS1CDK9NAMPTALDH1A1SMN1; SMN2
SCHEMBL901752 0.80 KARS1 (0.73) KARS1DYRK1A
SCHEMBL1704842 0.78 KARS1 (0.52) KARS1CDK9NAMPTALDH1A1SMN1; SMN2
SCHEMBL901769 0.77 KARS1 (0.60) KARS1NAMPTALDH1A1SMN1; SMN2
SCHEMBL10269155 0.76 WNT3A (0.43) KARS1CDK9
SCHEMBL901738 0.75 KARS1 (0.58) KARS1
SCHEMBL902044 0.73 KARS1 (0.51) KARS1ALDH1A1

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