SCHEMBL902167

SCHEMBL902167

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
SYK P43405 5/20 0.37
KARS1 Q15046 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 2/20 0.35
CYP19A1 P11511 3/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
BCR P11274 1/20 0.34
SRC P12931 1/20 0.34
PRKCA P17252 1/20 0.34
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL901884 0.87 KMT2A (0.42) KMT2ARXFP1SYKKARS1POLB
SCHEMBL901940 0.87 KMT2A (0.42) KMT2ARXFP1SYKKARS1POLB
SCHEMBL902197 0.86 KARS1 (0.43) SYKKARS1
SCHEMBL901992 0.86 KMT2A (0.42) KMT2ARXFP1KARS1MEN1POLB
SCHEMBL1704894 0.74 KARS1 (0.50) SYKKARS1MAPTALDH1A1
SCHEMBL901364 0.72 KARS1 (0.48) SYKKARS1
SCHEMBL902035 0.72 KARS1 (0.48) SYKKARS1
SCHEMBL10269155 0.71 WNT3A (0.43) SYKKARS1
SCHEMBL1704643 0.71 MAPT (0.47) KMT2ASYKKARS1MEN1MAPT
SCHEMBL6872246 0.70 FFAR1 (0.56) SYK

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