SCHEMBL902991

SCHEMBL902991

COC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.67
GPR119 Q8TDV5 1/20 0.46
SYK P43405 3/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL1704902 0.94 KARS1 (0.73) KARS1GPR119SYKTP53MEN1
SCHEMBL1704775 0.93 KARS1 (0.57) KARS1GPR119SYKKDM4E
SCHEMBL1705200 0.92 KARS1 (0.78) KARS1GPR119SYKTP53KDM4E
SCHEMBL902572 0.92 KARS1 (0.69) KARS1GPR119SYKTP53MEN1
SCHEMBL901969 0.91 KARS1 (0.70) KARS1TP53MEN1KMT2AKDM4E
SCHEMBL1705215 0.89 KARS1 (0.62) KARS1GPR119SYK
SCHEMBL1704616 0.89 KARS1 (0.53) KARS1GPR119SYKKDM4E
SCHEMBL1704257 0.88 KARS1 (0.61) KARS1GPR119SYK
SCHEMBL902995 0.87 KARS1 (0.67) KARS1GPR119SYK
SCHEMBL902022 0.86 KARS1 (0.57) KARS1GPR119SYK

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