SCHEMBL1704095

SCHEMBL1704095

CCCCc1c(N)cc(Nc2cnccn2)nc1-c1ccnc(N2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 17/20 0.62
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39

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
SCHEMBL1704254 0.89 KARS1 (0.59) KARS1
SCHEMBL1704904 0.87 KARS1 (0.68) KARS1
SCHEMBL901826 0.83 KARS1 (0.60) KARS1PRKD1PRKD2
SCHEMBL901708 0.79 KARS1 (0.66) KARS1PRKD1PRKD2
SCHEMBL901852 0.78 KARS1 (0.77) KARS1AXLMERTKHRH4PRKD1
SCHEMBL1704290 0.78 KARS1 (0.62) KARS1
SCHEMBL1704222 0.77 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1755643 0.73 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL902386 0.73 KARS1 (0.75) KARS1PRKD1PRKD2
SCHEMBL1755689 0.73 KARS1 (0.75) 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 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed