SCHEMBL901785

SCHEMBL901785

Nc1cc(Nc2cccc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)n2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.53
SMG1 Q96Q15 4/20 0.40
MTOR P42345 3/20 0.40
PRKD1 Q15139 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
FAAH O00519 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
SCHEMBL1704884 0.87 KARS1 (0.50) KARS1
SCHEMBL1704662 0.85 KARS1 (0.72) KARS1SMG1CDK1CDK2
SCHEMBL1704227 0.84 KARS1 (0.73) KARS1PRKD1PRKD2
SCHEMBL902071 0.83 KARS1 (0.72) KARS1
SCHEMBL901638 0.83 PRKD3 (0.43) KARS1SMG1MTORPRKD1PRKD2
SCHEMBL1704409 0.83 KARS1 (0.73) KARS1SMG1MTOR
SCHEMBL1704434 0.82 KARS1 (0.68) KARS1SMG1CDK1CDK2
SCHEMBL1705645 0.82 KARS1 (0.56) KARS1
SCHEMBL902051 0.76 KARS1 (0.55) KARS1
SCHEMBL1704697 0.75 KARS1 (0.71) 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