SCHEMBL6773282

SCHEMBL6773282

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)Nc2cccc(C#N)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.43
TLR7 Q9NYK1 2/20 0.42
TLR8 Q9NR97 1/20 0.42
CYP2D6 P10635 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 3/20 0.40
HIF1A Q16665 1/20 0.40
CCR2 P41597 1/20 0.39
USP2 O75604 5/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6777740 0.89 LMNA (0.46) TLR7HSD17B10CYP3A4CYP2C19CYP1A2
SCHEMBL6777299 0.89 ALDH1A1 (0.43) TLR7TLR8SMN1; SMN2TSHRALDH1A1
SCHEMBL6779541 0.89 TUBB4A (0.45) P2RY12MAPK1TSHRALDH1A1KMT2A
SCHEMBL6773545 0.89 TLR7 (0.43) TLR7TLR8CYP3A4CYP2C19CYP2C9
SCHEMBL6894485 0.88 MAPT (0.43) TLR7TLR8HSD17B10CCR2SMN1; SMN2
SCHEMBL6779180 0.83 KDM4E (0.40) TLR7TLR8HSD17B10SMN1; SMN2THRB
SCHEMBL6776089 0.82 CCR3 (0.44) TLR7TLR8SMN1; SMN2CCR3
SCHEMBL6777443 0.81 ALDH1A1 (0.40) CYP2D6HSD17B10USP2CYP3A4CYP2C19
SCHEMBL6778341 0.80 TLR7 (0.35) TLR7TLR8
SCHEMBL6783053 0.80 KDM4E (0.44) TLR7TLR8SMN1; SMN2ALDH1A1KMT2A

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