SCHEMBL901884

SCHEMBL901884

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
SYK P43405 5/20 0.42
RHOA P61586 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KARS1 Q15046 3/20 0.39
FFAR1 O14842 2/20 0.39
POLB P06746 2/20 0.39
PIM2 Q9P1W9 1/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 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 1/20 0.37
MAPT P10636 1/20 0.37
CTDSP1 Q9GZU7 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
SCHEMBL901940 1.00 KMT2A (0.42) KMT2ASYKRHOARXFP1KARS1
SCHEMBL901992 0.92 KMT2A (0.42) KMT2ARXFP1KARS1POLBCYP19A1
SCHEMBL902167 0.87 KMT2A (0.38) KMT2ASYKRXFP1KARS1POLB
SCHEMBL901364 0.85 KARS1 (0.48) SYKRHOAKARS1FFAR1PIM2
SCHEMBL902035 0.77 KARS1 (0.48) SYKKARS1
SCHEMBL901872 0.73 KARS1 (0.52) KMT2AKARS1
SCHEMBL901842 0.72 KARS1 (0.54) KARS1POLB
SCHEMBL902197 0.72 KARS1 (0.43) SYKKARS1
SCHEMBL901840 0.72 KARS1 (0.54) KARS1POLB
SCHEMBL901565 0.70 KARS1 (0.42) KMT2AKARS1POLB

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