SCHEMBL902773

SCHEMBL902773

CC(=O)N1CCC(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 1.00
MAPK8 P45983 1/20 0.49
MAPK10 P53779 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1704120 0.93 KARS1 (1.00) KARS1KDM4E
SCHEMBL1704905 0.91 KARS1 (0.83) KARS1MAPK8MAPK10RXFP1KDM4E
SCHEMBL902767 0.90 KARS1 (0.91) KARS1KDM4E
SCHEMBL901889 0.88 KARS1 (0.81) KARS1
SCHEMBL1705200 0.88 KARS1 (0.78) KARS1MAPK8MAPK10RXFP1KDM4E
SCHEMBL1704902 0.84 KARS1 (0.73) KARS1KDM4ETP53MEN1KMT2A
SCHEMBL901349 0.84 KARS1 (0.80) KARS1
SCHEMBL1755684 0.84 KARS1 (0.78) KARS1
SCHEMBL10267664 0.82 KARS1 (0.77) KARS1
SCHEMBL902572 0.82 KARS1 (0.69) KARS1KDM4ETP53MEN1KMT2A

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