SCHEMBL901754

SCHEMBL901754

O=C(O)NCCNc1cc(-c2cccc(Nc3cnccn3)n2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.58
CDK1 P06493 3/20 0.45
KDR P35968 1/20 0.45
CDK2 P24941 2/20 0.43
MTOR P42345 2/20 0.43
SMG1 Q96Q15 2/20 0.43
NPC1 O15118 1/20 0.43
CCNT1 O60563 1/20 0.43
MAPT P10636 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
XBP1 P17861 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL901307 0.86 KARS1 (0.77) KARS1KDRNPC1MAPTHTT
SCHEMBL1755667 0.84 KARS1 (0.72) KARS1CDK1KDRCDK2MTOR
SCHEMBL901872 0.83 KARS1 (0.52) KARS1NPC1RAB9AJAK2JAK1
SCHEMBL901724 0.83 KARS1 (0.57) KARS1
SCHEMBL1704345 0.83 KARS1 (0.59) KARS1
SCHEMBL1704681 0.82 KARS1 (0.52) KARS1CDK1KDRCDK2MTOR
SCHEMBL12469502 0.82 KARS1 (0.74) KARS1CDK1KDRCDK2MTOR
SCHEMBL901406 0.80 KARS1 (0.50) KARS1CDK1KDRCDK2MTOR
SCHEMBL901741 0.76 KARS1 (0.74) KARS1KDRNPC1MAPTHTT
SCHEMBL1755668 0.75 KARS1 (0.60) KARS1KDRMAPTJAK2JAK1

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