SCHEMBL902036

SCHEMBL902036

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1)c1cccnc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.81
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
DYRK1A Q13627 1/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
REV1 Q9UBZ9 1/20 0.40

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
SCHEMBL901421 0.95 KARS1 (0.82) KARS1MAPK8MAPK10DYRK1A
SCHEMBL901791 0.93 KARS1 (0.81) KARS1DYRK1A
SCHEMBL1704270 0.90 KARS1 (0.66) KARS1MAPK8MAPK10DYRK1A
SCHEMBL901833 0.90 KARS1 (0.72) KARS1DYRK1AABL1PDGFRBBCR
SCHEMBL901742 0.89 KARS1 (1.00) KARS1MAPK8MAPK10
SCHEMBL901804 0.89 KARS1 (0.68) KARS1DYRK1AMEN1KMT2A
SCHEMBL901977 0.89 KARS1 (0.65) KARS1MAPK8MAPK10
SCHEMBL901962 0.89 KARS1 (0.66) KARS1DYRK1A
SCHEMBL902092 0.89 KARS1 (0.68) KARS1
SCHEMBL1705312 0.89 KARS1 (0.73) KARS1DYRK1AABL1PDGFRBREV1

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