SCHEMBL6773542

SCHEMBL6773542

Cc1nc(N)c2ncn(CCCCNC(=O)c3cccc(C(F)(F)F)c3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
DRD2 P14416 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
ABL1 P00519 2/20 0.41
BCR P11274 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
GPR139 Q6DWJ6 1/20 0.40
EGFR P00533 1/20 0.40
HDAC2 Q92769 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
SRC P12931 1/20 0.39

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
SCHEMBL6768483 0.86 DRD3 (0.44) ALDH1A1POLBHDAC3HDAC1DRD2
SCHEMBL6772103 0.85 MCHR1 (0.51) ALDH1A1NAMPTDRD2DRD3
SCHEMBL6769799 0.84 MCHR1 (0.50) NAMPTHDAC3DRD3GPR139
SCHEMBL6773548 0.84 HDAC3 (0.49) HDAC3HDAC1DRD2ADRA1ADRD3
SCHEMBL6774052 0.83 POLB (0.43) POLBNAMPTHDAC3HDAC1DRD2
SCHEMBL6773386 0.82 TP53BP1 (0.49) TP53BP1ALDH1A1POLBNAMPTHDAC3
SCHEMBL6773439 0.82 TRPV1 (0.44) HDAC3HDAC1TLR7HDAC2
SCHEMBL6780200 0.80 ALDH1A1 (0.50) TP53BP1ALDH1A1POLBNAMPTHDAC3
SCHEMBL6777932 0.78 MAPT (0.43)
SCHEMBL6098139 0.78 DYRK1A (0.37) ALDH1A1

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
CN-100387597-C Amido-substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-05-14 CN claimed
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed