SCHEMBL901538

SCHEMBL901538

C1=C(c2cccc(-c3cccc(Nc4cnccn4)n3)c2)CCNC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 8/20 0.60
HTR2C P28335 5/20 0.43
CDK9 P50750 3/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL902309 0.88 KARS1 (0.49) KARS1HTR2CCDK9SIGMAR1
SCHEMBL901243 0.84 KARS1 (0.59) KARS1HTR2C
SCHEMBL902737 0.82 KARS1 (0.63) KARS1HTR2CCDK9
SCHEMBL901298 0.81 KARS1 (0.64) KARS1
SCHEMBL902213 0.81 KARS1 (0.40) KARS1HTR2CCDK9SIGMAR1
SCHEMBL902609 0.80 HTR2C (0.44) KARS1HTR2CSIGMAR1
SCHEMBL1755681 0.78 KARS1 (0.56) KARS1
SCHEMBL1704842 0.76 KARS1 (0.52) KARS1CDK9
SCHEMBL902750 0.75 KARS1 (0.64) KARS1HTR2C
SCHEMBL901632 0.75 KARS1 (1.00) KARS1

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