SCHEMBL4710474

SCHEMBL4710474

N#Cc1cc(CN2CCNCC2)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
DPP8 Q6V1X1 1/20 0.50
CHKA P35790 2/20 0.49
CXCR4 P61073 5/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2C P18825 1/20 0.46
CCR2 P41597 1/20 0.46
CXCL12 P48061 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HTT P42858 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
USP2 O75604 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45

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
SCHEMBL1935654 0.86 ALDH1A1 (0.63) DPP4DPP8CHKAALDH1A1HRH3
SCHEMBL20238481 0.86 CHKA (0.62) DPP4DPP8CHKAALDH1A1HRH3
SCHEMBL29668952 0.86 CHKA (0.62) DPP4DPP8CHKAALDH1A1HRH3
SCHEMBL28876943 0.82 CXCR4 (0.48) CHKACXCR4MEN1CHRM2CHRM1
SCHEMBL4712397 0.82 CHKA (0.55) DPP4DPP8CHKAALDH1A1TDP1
SCHEMBL29756449 0.81 ALDH1A1 (0.69) DPP4CXCR4ALDH1A1MEN1CHRM2
SCHEMBL2921989 0.81 ALDH1A1 (0.69) DPP4CXCR4ALDH1A1MEN1CHRM2
SCHEMBL27822767 0.80 DPP4 (0.57) DPP4DPP8CHKAALDH1A1CHRM2
Hydrochloric Acid SCHEMBL31097546 0.79 CYP2D6 (0.67) DPP4DPP8CHKAALDH1A1MEN1
SCHEMBL4789120 0.78 DPP4 (0.57) DPP4DPP8CHKAALDH1A1CHRM2

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-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO disclosed