SCHEMBL901948

SCHEMBL901948

O=C(O)N1CC=C(c2cccc(-c3cc(-c4ccccc4)cc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.46
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NAMPT P43490 1/20 0.41
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CDK9 P50750 1/20 0.40
SYK P43405 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1704842 0.91 KARS1 (0.52) KARS1ALDH1A1SMN1; SMN2NAMPTALOX15
SCHEMBL901769 0.89 KARS1 (0.60) KARS1ALDH1A1SMN1; SMN2NAMPTALOX15
SCHEMBL1704352 0.88 GRM1 (0.46) KARS1NAMPTSYK
SCHEMBL1705014 0.85 ALDH1A1 (0.44) KARS1ALDH1A1SMN1; SMN2NAMPTALOX15
SCHEMBL901761 0.82 KARS1 (0.54) KARS1ALDH1A1SMN1; SMN2NAMPTCDK9
SCHEMBL1704307 0.81 KARS1 (0.49) KARS1NAMPT
SCHEMBL901335 0.80 KARS1 (0.44) KARS1NAMPTCDK9
SCHEMBL1704634 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NAMPTALOX15TSHR
SCHEMBL901564 0.79 KARS1 (0.42) KARS1NAMPTCDK9
SCHEMBL901565 0.79 KARS1 (0.42) KARS1NAMPTCDK9

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