SCHEMBL902653

SCHEMBL902653

O=C(Nc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cccnc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.80
SYK P43405 1/20 0.49
BRAF P15056 2/20 0.47
PRKD1 Q15139 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
RAF1 P04049 1/20 0.46

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
SCHEMBL901977 0.90 KARS1 (0.65) KARS1SYK
SCHEMBL901742 0.89 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1704425 0.89 KARS1 (0.80) KARS1BRAFRAF1
SCHEMBL902491 0.89 KARS1 (0.76) KARS1SYKPRKD1PRKD2
SCHEMBL1704893 0.87 KARS1 (0.61) KARS1SYK
SCHEMBL901763 0.84 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1704640 0.83 KARS1 (0.56) KARS1SYKBRAF
SCHEMBL1704268 0.82 KARS1 (1.00) KARS1BRAFPRKD1PRKD2RAF1
SCHEMBL10268807 0.81 KARS1 (0.68) KARS1BRAF
SCHEMBL901867 0.81 KARS1 (0.53) KARS1SYKBRAF

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 3 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed