SCHEMBL901801

SCHEMBL901801

O=C(O)N1CCN(c2cc(-c3cc(NC(=O)N4CCC(OCc5ccccc5)CC4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.56
FAAH O00519 2/20 0.40
SCN9A Q15858 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRIN2B Q13224 1/20 0.39
MAPK10 P53779 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL902661 0.93 KARS1 (0.68) KARS1SCN9A
SCHEMBL1704377 0.92 KARS1 (0.54) KARS1CYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL901935 0.83 KARS1 (0.65) KARS1FAAHALDH1A1
SCHEMBL901421 0.82 KARS1 (0.82) KARS1FAAHMAPK10
SCHEMBL901966 0.81 KARS1 (0.61) KARS1
SCHEMBL901757 0.81 KARS1 (0.66) KARS1
SCHEMBL901834 0.81 KARS1 (0.82) KARS1
SCHEMBL901431 0.81 KARS1 (0.60) KARS1FAAH
SCHEMBL1704868 0.81 KARS1 (0.55) KARS1CYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL1704693 0.81 KARS1 (0.59) 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 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