SCHEMBL901595

SCHEMBL901595

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccc(F)cc1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.86
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
PRKD1 Q15139 2/20 0.46
PRKD2 Q9BZL6 2/20 0.46
PRKD3 O94806 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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 0.93 KARS1 (1.00) KARS1CDK7CCNHPRKD1PRKD2
SCHEMBL901763 0.92 KARS1 (1.00) KARS1CDK7CCNHPRKD1PRKD2
SCHEMBL1704268 0.90 KARS1 (1.00) KARS1PRKD1PRKD2PRKD3
SCHEMBL901956 0.90 KARS1 (0.83) KARS1CDK7CCNHPRKD1PRKD2
SCHEMBL901833 0.90 KARS1 (0.72) KARS1
SCHEMBL901742 0.89 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1704822 0.88 KARS1 (1.00) KARS1CDK7CCNHPRKD1PRKD2
SCHEMBL901859 0.88 KARS1 (0.88) KARS1PRKD1PRKD2PRKD3
SCHEMBL901889 0.87 KARS1 (0.81) KARS1PRKD1PRKD2PRKD3
SCHEMBL902055 0.87 KARS1 (0.88) 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