SCHEMBL6775784

SCHEMBL6775784

Cc1nc(N)c2ncn(CCCCNC(=O)NC(C)(C)C)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
BRD4 O60885 6/20 0.36
TLR7 Q9NYK1 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADCY5 O95622 3/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TK1 P04183 1/20 0.31

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
SCHEMBL6773196 0.87 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL6098139 0.86 DYRK1A (0.37) ADCY5ALDH1A1TDP1TK1
SCHEMBL6784160 0.85 EPHX1 (0.38) BRD4TLR7ADCY5ALDH1A1POLB
SCHEMBL14592749 0.83 TLR7 (0.58) BRD4TLR7NPC1RAB9AMAPT
SCHEMBL6777509 0.83 FAAH (0.47) DRD2DRD3MAPTALDH1A1
SCHEMBL6778549 0.82 KDM4E (0.38) BRD4SMN1; SMN2ALDH1A1
SCHEMBL6777814 0.81 EPHX1 (0.44)
SCHEMBL6775246 0.81 HDAC1 (0.41) ADCY5ALDH1A1TDP1
SCHEMBL6773535 0.80 NAAA (0.40) DRD2DRD3SMN1; SMN2MAPTALDH1A1
SCHEMBL6768483 0.80 DRD3 (0.44) DRD2DRD3TLR7NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed