SCHEMBL1704868

SCHEMBL1704868

O=C(C[C@@H](C(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1)c1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.55
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRIN2B Q13224 1/20 0.38
ROCK2 O75116 2/20 0.38
SYK P43405 1/20 0.37
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL1704347 0.92 KARS1 (0.66) KARS1
SCHEMBL902958 0.92 KARS1 (0.51) KARS1CYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL901431 0.83 KARS1 (0.60) KARS1
SCHEMBL901863 0.82 KARS1 (0.56) KARS1
SCHEMBL1704573 0.82 KARS1 (0.73) KARS1
SCHEMBL1704395 0.82 KARS1 (0.53) KARS1SYKGAA
SCHEMBL902144 0.81 KARS1 (0.59) KARS1SYK
SCHEMBL901935 0.81 KARS1 (0.65) KARS1
SCHEMBL901801 0.81 KARS1 (0.56) KARS1CYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL901421 0.80 KARS1 (0.82) KARS1

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 1 patent. 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