SCHEMBL4440173

SCHEMBL4440173

COc1ccc(CCc2cc(N)n(C(=O)O)n2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
TLR7 Q9NYK1 6/20 0.40
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 3/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL63851 0.85 TLR7 (0.39) KMT2AMEN1TLR7POLBALDH1A1
SCHEMBL63220 0.80 NR3C2 (0.47) KMT2AMEN1ALDH1A1MAPT
SCHEMBL4429135 0.79 CYP19A1 (0.44) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL64487 0.72 ADRA1A (0.43) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL25648716 0.70 POLB (0.71) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL64323 0.69 KMT2A (0.49) KMT2AMEN1TLR7ALDH1A1HPGD
SCHEMBL24483184 0.69 KMT2A (0.62) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL16678807 0.68 MEN1 (0.43) KMT2AMEN1TLR7POLBALDH1A1
SCHEMBL23827458 0.68 HTT (0.48) KMT2AMEN1TLR7POLBALDH1A1
SCHEMBL4664847 0.67 HSD17B10 (0.65) KMT2AMEN1POLBHTTMAPT

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