SCHEMBL901956

SCHEMBL901956

COc1ccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 15/20 0.83
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
PRKD1 Q15139 2/20 0.44
PRKD2 Q9BZL6 2/20 0.44
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL901620 0.91 KARS1 (1.00) KARS1CDK7CCNHPRKD1PRKD2
SCHEMBL901973 0.90 KARS1 (0.69) KARS1MAPTCYP2C19
SCHEMBL901595 0.90 KARS1 (0.86) KARS1CDK7CCNHPRKD1PRKD2
SCHEMBL901763 0.90 KARS1 (1.00) KARS1CDK7CCNHPRKD1PRKD2
SCHEMBL1704268 0.88 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL901750 0.88 KARS1 (0.81) KARS1CDK7CCNHPRKD1PRKD2
SCHEMBL901742 0.87 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL901889 0.87 KARS1 (0.81) KARS1PRKD1PRKD2
SCHEMBL1704921 0.87 KARS1 (0.63) KARS1MAPTCYP2C19
SCHEMBL1704822 0.86 KARS1 (1.00) KARS1CDK7CCNHPRKD1PRKD2

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 4 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
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