SCHEMBL2932442

SCHEMBL2932442

COc1cc(Br)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.53
MGLL Q99685 2/20 0.51
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
ADAM17 P78536 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 2/20 0.43
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
DPP4 P27487 1/20 0.42
KDM1A O60341 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL27167164 0.84 GPR183 (0.48) GPR183MGLLMMP1MMP9MMP13
SCHEMBL15264271 0.84 STS (0.50) GPR183MGLLMMP1MMP9MMP13
SCHEMBL16528665 0.83 VEGFA (0.42) MGLLMMP1MMP9MMP13ADAM17
SCHEMBL19974330 0.82 CYP2D6 (0.53) GPR183MGLLALDH1A1MAPTVEGFA
SCHEMBL11949129 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EPKM
SCHEMBL10039879 0.81 ALDH1A1 (0.62) ALDH1A1LMNAMAPTSMN1; SMN2FAAH
SCHEMBL23783427 0.81 MMP1 (0.47) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL1632715 0.81 KDM4E (0.58) MGLLALDH1A1MEN1KMT2AKDM4E
SCHEMBL16528206 0.81 MAPK1 (0.43) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL29632726 0.80 TBK1 (0.46) VEGFAEGLN1CHRM2CHRM4CHRM1

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-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed