SCHEMBL2935951

SCHEMBL2935951

COc1c(Br)cccc1CN1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
HTR6 P50406 6/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CHRNA7 P36544 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL18753873 0.83 MEN1 (0.53) MEN1KMT2APOLBHTR6KDM4E
SCHEMBL2931838 0.80 HTR6 (0.69) POLBHTR6KDM4ECYP3A4CYP2D6
SCHEMBL30573473 0.75 CHRM2 (0.70) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL13559793 0.74 SIGMAR1 (0.65) MEN1KMT2AKDM4ECYP2D6ALDH1A1
SCHEMBL22169121 0.73 DRD2 (0.52) MEN1KMT2APOLBHTR6KDM4E
SCHEMBL5265567 0.71 MEN1 (0.54) MEN1KMT2APOLBHTR6KDM4E
SCHEMBL19561871 0.71 CHRNA7 (0.49) KMT2APOLBHTR6KDM4ECYP3A4
SCHEMBL23536830 0.71 GABRA1 (0.52) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1364220 0.71 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30525679 0.71 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1SMN1; 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-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