SCHEMBL4553740

SCHEMBL4553740

COc1cc(COn2nccc2N)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DHFR P00374 1/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
ABCB1 P08183 1/20 0.34
ALKBH1 Q13686 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HSP90AB1 P08238 1/20 0.33
CALM1 P0DP23 1/20 0.33
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL4433704 0.98 CYP19A1 (0.41) CYP19A1MEN1KMT2ADHFRIDO1
SCHEMBL29696195 0.73 CYP19A1 (0.49) CYP19A1MEN1KMT2ACALM1ALDH1A1
SCHEMBL4914730 0.71
SCHEMBL4903292 0.68
SCHEMBL17713727 0.68 APP (0.46) IDO1AGXTCALM1ALDH1A1
SCHEMBL1491056 0.66 MEN1 (0.57) MEN1KMT2AIDO1AGXTALDH1A1
SCHEMBL7098582 0.65 ALDH1A1 (0.48) CYP19A1IDO1AGXTABCB1CALM1
SCHEMBL1491084 0.65 ALDH1A1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL31052 0.64 ALDH1A1 (0.58) CYP19A1IDO1AGXTABCB1CALM1
SCHEMBL7889540 0.64 ALDH1A1 (0.58) CYP19A1IDO1AGXTABCB1EGLN1

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-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed