SCHEMBL902899

SCHEMBL902899

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.47
P2RY12 Q9H244 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
NTSR1 P30989 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL902812 0.94 KARS1 (0.49) KARS1CKS1BSKP1SKP2ACHE
SCHEMBL1704312 0.88 KARS1 (0.48) KARS1CKS1BSKP1SKP2ACHE
SCHEMBL901882 0.84 KARS1 (0.48) KARS1GAAACHE
SCHEMBL1704341 0.83 KARS1 (0.55) KARS1CKS1BSKP1SKP2ACHE
SCHEMBL901508 0.83 KARS1 (0.56) KARS1CKS1BSKP1SKP2
SCHEMBL1704453 0.82 KARS1 (0.52) KARS1CKS1BSKP1SKP2
SCHEMBL1704481 0.81 KARS1 (0.55) KARS1CKS1BSKP1SKP2ACHE
SCHEMBL902972 0.81 KARS1 (0.51) KARS1CKS1BSKP1SKP2
SCHEMBL1705082 0.81 KARS1 (0.60) KARS1
SCHEMBL902836 0.81 KARS1 (0.46) KARS1CKS1BSKP1SKP2ACHE

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