SCHEMBL901876

SCHEMBL901876

O=C(O)N1CCN(c2cccc(-c3cccc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 11/20 0.71
USP2 O75604 4/20 0.45
CYP1A2 P05177 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2C19 P33261 3/20 0.45
MAPK1 P28482 2/20 0.45
DHFR P00374 1/20 0.45
FAAH O00519 1/20 0.43
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53BP1 Q12888 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39
CAMK2D Q13557 1/20 0.39

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
SCHEMBL902071 0.87 KARS1 (0.72) KARS1
SCHEMBL902983 0.86 KARS1 (0.64) KARS1DHFR
SCHEMBL901632 0.83 KARS1 (1.00) KARS1CAMK2D
SCHEMBL901891 0.83 KARS1 (0.73) KARS1KMT2A
SCHEMBL901665 0.82 KARS1 (0.53) KARS1FAAHCYP3A4CYP2C9CYP2D6
SCHEMBL1704842 0.80 KARS1 (0.52) KARS1SMN1; SMN2MAPK1TSHRALDH1A1
SCHEMBL1704697 0.78 KARS1 (0.71) KARS1
SCHEMBL1704829 0.78 KARS1 (0.43) KARS1USP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL902003 0.78 KARS1 (0.61) KARS1MAPK1FAAH
SCHEMBL902044 0.77 KARS1 (0.51) KARS1DHFRFAAHMEN1KMT2A

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