SCHEMBL4432284

SCHEMBL4432284

COc1cccc(CCc2cc(NC(=O)c3ccc(C)nc3)[nH]n2)c1.COc1cccc(CCc2cnn(C(C)(C)C)c2N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
NR3C2 P08235 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
NTRK1 P04629 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL65150 0.87 ABCB1 (0.49) ABCB1ROCK2ROCK1NR3C2PRKAB2
SCHEMBL4554792 0.86 SIRT2 (0.40) ABCB1ROCK2ROCK1NR3C2KDM4E
SCHEMBL4562857 0.80 HPGD (0.46) ABCB1ROCK2ROCK1NR3C2PRKAB2
SCHEMBL64118 0.79 KCNQ3 (0.52) ABCB1ROCK2ROCK1NR3C2SMN1; SMN2
SCHEMBL62554 0.79 ABCB1 (0.47) ABCB1ROCK2ROCK1NR3C2SMN1; SMN2
SCHEMBL62361 0.79 ABCB1 (0.47) ABCB1ROCK2ROCK1NR3C2SMN1; SMN2
SCHEMBL1853874 0.78 ABCB1 (0.45) ABCB1ROCK2ROCK1NR3C2SMN1; SMN2
SCHEMBL63192 0.78 ABCB1 (0.43) ABCB1ROCK2ROCK1NR3C2SMN1; SMN2
SCHEMBL64528 0.77 P4HTM (0.53) ABCB1ROCK2ROCK1NR3C2P2RY14
SCHEMBL64697 0.77 ABCB1 (0.46) ABCB1ROCK2ROCK1NR3C2SMN1; SMN2

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