SCHEMBL6776898

SCHEMBL6776898

Cc1nc(N)c2nc(C)n(CCCNC(=O)NC(C)C)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
PKM P14618 1/20 0.34
BRD4 O60885 5/20 0.34
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.32
CSNK2A1 P68400 2/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL6777793 0.93 PKM (0.35) EPHX1PKMBRD4TLR7
SCHEMBL6097539 0.86 KMT2A (0.36) BRD4LMNAHTTSMN1; SMN2CSNK2A1
SCHEMBL6775775 0.86 EPHX1 (0.37) EPHX1MAPTKDM4ETDP1TLR7
SCHEMBL6094589 0.85 DYRK1A (0.37) KDM4ECSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL6782966 0.85 TLR7 (0.39) EPHX1TLR7
SCHEMBL6773214 0.82 EPHX1 (0.44) EPHX1KDM4E
SCHEMBL6777224 0.82 EPHX1 (0.37) EPHX1MAPTKDM4ETDP1TLR7
SCHEMBL6772950 0.81 FAAH (0.53) EPHX1PKMMAPTKDM4ELMNA
SCHEMBL6773171 0.80 TSHR (0.38) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL6773502 0.80 TLR7 (0.37) SMN1; SMN2TLR7

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