SCHEMBL902958

SCHEMBL902958

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NC(=O)[C@H](CC(=O)OCc4ccccc4)c4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.51
ACHE P22303 1/20 0.39
SYK P43405 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRIN2B Q13224 1/20 0.38
BACE1 P56817 1/20 0.38
WNT3A P56704 1/20 0.38
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CCNA1 P78396 1/20 0.37

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
SCHEMBL1704868 0.92 KARS1 (0.55) KARS1SYKCYP3A4CYP2D6CYP2C9
SCHEMBL1704347 0.88 KARS1 (0.66) KARS1
SCHEMBL1704582 0.86 KARS1 (0.53) KARS1ACHESYKWNT3ACCNT1
SCHEMBL1704481 0.86 KARS1 (0.55) KARS1ACHESYKWNT3A
SCHEMBL1704910 0.84 KARS1 (0.55) KARS1SYKWNT3A
SCHEMBL901865 0.84 KARS1 (0.54) KARS1ACHESYKWNT3A
SCHEMBL1704770 0.83 KARS1 (0.59) KARS1ACHESYKWNT3A
SCHEMBL1704514 0.83 KARS1 (0.54) KARS1SYKWNT3A
SCHEMBL1704353 0.83 KARS1 (0.55) KARS1ACHESYKWNT3A
SCHEMBL1704577 0.83 KARS1 (0.56) KARS1ACHESYKWNT3A

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