SCHEMBL901992

SCHEMBL901992

NC(=O)CCc1cccc(-c2cc([N+](=O)[O-])cc(Nc3cnccn3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 1/20 0.39
KARS1 Q15046 5/20 0.38
AURKA O14965 1/20 0.38
POLB P06746 2/20 0.38
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
BCR P11274 1/20 0.37
SRC P12931 1/20 0.37
PRKCA P17252 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLK1 P53350 1/20 0.36
NEK2 P51955 1/20 0.35
VCP P55072 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL901940 0.92 KMT2A (0.42) KMT2ARXFP1KARS1POLBABL1
SCHEMBL901884 0.92 KMT2A (0.42) KMT2ARXFP1KARS1POLBABL1
SCHEMBL902167 0.86 KMT2A (0.38) KMT2ARXFP1KARS1POLBABL1
SCHEMBL902035 0.86 KARS1 (0.48) KARS1AURKANEK2JAK3SIRT2
SCHEMBL901364 0.78 KARS1 (0.48) KARS1SIRT2
SCHEMBL901722 0.74 KARS1 (0.52) KARS1AURKASRCNEK2SIRT2
SCHEMBL902197 0.73 KARS1 (0.43) KARS1SIRT2
SCHEMBL902681 0.71 KARS1 (0.70) KMT2AKARS1SRCALDH1A1MEN1
SCHEMBL901872 0.70 KARS1 (0.52) KMT2AKARS1GAASMN1; SMN2SIRT2
SCHEMBL901842 0.70 KARS1 (0.54) KARS1POLB

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed