SCHEMBL4430176

SCHEMBL4430176

COc1cccc(CCc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)[nH]n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.57
PPARD Q03181 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.45
NTRK1 P04629 1/20 0.45
POLB P06746 1/20 0.45
NLRP3 Q96P20 1/20 0.45
MAPK1 P28482 1/20 0.45
NR1H4 Q96RI1 2/20 0.45

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
SCHEMBL64148 0.89 KMT2A (0.54) ABCB1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL63188 0.85 NPC1 (0.52) ABCB1MEN1KMT2AFGFR1FGFR2
SCHEMBL63678 0.84 HDAC1 (0.48) ABCB1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL62401 0.84 NR3C2 (0.48) ABCB1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4553730 0.83 ABCB1 (0.45) ABCB1MEN1KMT2AFGFR1FGFR2
SCHEMBL63175 0.83 KDM4E (0.47) ABCB1MEN1KMT2AABCG2SMN1; SMN2
SCHEMBL4440100 0.82 RAB9A (0.53) ABCB1PPARDMEN1KMT2ASMN1; SMN2
SCHEMBL64844 0.82 CA1 (0.51) ABCB1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL64290 0.82 RAB9A (0.62) ABCB1MEN1KMT2ASMN1; SMN2KDM4E
Benzoyl Chloride SCHEMBL4435271 0.81 NPC1 (0.48) ABCB1MEN1KMT2AFGFR1FGFR2

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