SCHEMBL4440100

SCHEMBL4440100

COc1cccc(CCc2cc(NC(=O)c3ccc(C#N)cc3)[nH]n2)c1.COc1cccc(CCc2cc(NC(=O)c3ccccc3C(N)=O)[nH]n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
ABCB1 P08183 2/20 0.43
AURKA O14965 5/20 0.42
AURKB Q96GD4 4/20 0.42
ADORA2A P29274 1/20 0.41
EGLN2 Q96KS0 2/20 0.40
RPS6KB1 P23443 3/20 0.40
NR3C2 P08235 1/20 0.40
PLAU P00749 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
MAPK10 P53779 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL64290 0.92 RAB9A (0.62) RAB9AABCB1ADORA2AEGLN2NR3C2
SCHEMBL62401 0.85 NR3C2 (0.48) RAB9AABCB1NR3C2PLAUSMN1; SMN2
SCHEMBL4553730 0.84 ABCB1 (0.45) RAB9AABCB1NR3C2KDM4ESMN1; SMN2
SCHEMBL4430176 0.82 ABCB1 (0.57) RAB9AABCB1KDM4ESMN1; SMN2NPC1
SCHEMBL64148 0.80 KMT2A (0.54) RAB9AABCB1KDM4ESMN1; SMN2NPC1
SCHEMBL63678 0.80 HDAC1 (0.48) RAB9AABCB1NR3C2KDM4ESMN1; SMN2
SCHEMBL64374 0.80 RAB9A (0.46) RAB9AABCB1NR3C2SMN1; SMN2
SCHEMBL63175 0.78 KDM4E (0.47) RAB9AABCB1KDM4ESMN1; SMN2NPC1
SCHEMBL64844 0.78 CA1 (0.51) RAB9AABCB1ADORA2ASMN1; SMN2NPC1
SCHEMBL62684 0.76 LMNA (0.46) RAB9AABCB1KDM4ESMN1; SMN2NPC1

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