SCHEMBL901852

SCHEMBL901852

CCCCNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 17/20 0.77
HRH4 Q9H3N8 1/20 0.48
AXL P30530 1/20 0.47
MERTK Q12866 1/20 0.47
PRKD1 Q15139 1/20 0.45
PRKD2 Q9BZL6 1/20 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
SCHEMBL901269 0.88 KARS1 (0.70) KARS1PRKD1PRKD2
SCHEMBL1755643 0.87 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL902211 0.86 KARS1 (0.58) KARS1PRKD1PRKD2
SCHEMBL901889 0.84 KARS1 (0.81) KARS1PRKD1PRKD2
SCHEMBL901799 0.84 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL1755684 0.83 KARS1 (0.78) KARS1PRKD1PRKD2
SCHEMBL1705090 0.82 KARS1 (0.54) KARS1MERTK
SCHEMBL1704222 0.81 KARS1 (1.00) KARS1PRKD1PRKD2
SCHEMBL902600 0.81 KARS1 (1.00) KARS1
SCHEMBL902386 0.81 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 disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed