SCHEMBL4554792

SCHEMBL4554792

COc1cccc(CCc2cc(NC(=O)c3ccc(-n4cccn4)cc3)[nH]n2)c1.COc1cccc(CCc2cnn(C(C)(C)C)c2N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ABCB1 P08183 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
DGAT2 Q96PD7 2/20 0.35
NR3C2 P08235 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NTRK1 P04629 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL62371 0.88 KDM4E (0.47) SIRT2SIRT1SIRT3KDM4EHPGD
SCHEMBL4432284 0.86 ABCB1 (0.43) KDM4EHPGDABCB1NR3C2NTRK1
SCHEMBL63821 0.79 KDM4E (0.64) SIRT2SIRT1SIRT3KDM4EHPGD
SCHEMBL63343 0.78 RAB9A (0.43) KDM4EABCB1NTRK1RXFP1ROCK2
SCHEMBL63704 0.76 RAB9A (0.51) MEN1KMT2ARXFP1
SCHEMBL62401 0.75 NR3C2 (0.48) ABCB1NR3C2KMT2ANTRK1ROCK2
SCHEMBL63678 0.74 HDAC1 (0.48) KDM4EABCB1NR3C2KMT2ANTRK1
SCHEMBL62764 0.73 MAPT (0.51) KDM4EFGFR1LMNA
SCHEMBL64148 0.72 KMT2A (0.54) KDM4EHPGDABCB1MEN1KMT2A
SCHEMBL63175 0.72 KDM4E (0.47) KDM4EHPGDABCB1MEN1KMT2A

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