SCHEMBL902309

SCHEMBL902309

C1=C(c2cccc(-c3cc(-c4ccccc4)cc(Nc4cnccn4)n3)c2)CCNC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.49
SIGMAR1 Q99720 1/20 0.43
CDK9 P50750 1/20 0.43
HTR2C P28335 3/20 0.42

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
SCHEMBL901538 0.88 KARS1 (0.60) KARS1SIGMAR1CDK9HTR2C
SCHEMBL901298 0.85 KARS1 (0.64) KARS1
SCHEMBL902213 0.82 KARS1 (0.40) KARS1SIGMAR1CDK9HTR2C
SCHEMBL902960 0.80 GSK3A (0.43) SIGMAR1HTR2C
SCHEMBL1755681 0.80 KARS1 (0.56) KARS1
SCHEMBL901948 0.79 KARS1 (0.46) KARS1CDK9
SCHEMBL1755672 0.79 KARS1 (0.49) KARS1CDK9
SCHEMBL1704397 0.75 KARS1 (0.77) KARS1
SCHEMBL1704352 0.74 GRM1 (0.46) KARS1
SCHEMBL901243 0.73 KARS1 (0.59) KARS1HTR2C

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