SCHEMBL902491

SCHEMBL902491

O=C(O)c1ccc(C(=O)Nc2cc(Nc3cc(C(F)(F)F)ccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 15/20 0.76
PRKD1 Q15139 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
ADRB1 P08588 1/20 0.46
IDH2 P48735 1/20 0.45
SYK P43405 2/20 0.45

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
SCHEMBL902653 0.89 KARS1 (0.80) KARS1PRKD1PRKD2SYK
SCHEMBL901620 0.86 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1704425 0.83 KARS1 (0.80) KARS1
SCHEMBL902768 0.82 KARS1 (0.52) KARS1IDH2SYK
SCHEMBL1704236 0.82 KARS1 (0.52) KARS1IDH2SYK
SCHEMBL901595 0.81 KARS1 (0.86) KARS1PRKD1PRKD2
SCHEMBL901763 0.81 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL901977 0.80 KARS1 (0.65) KARS1IDH2SYK
SCHEMBL901859 0.80 KARS1 (0.88) KARS1PRKD1PRKD2
SCHEMBL902055 0.80 KARS1 (0.88) KARS1PRKD1PRKD2

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