SCHEMBL6778477

SCHEMBL6778477

Cc1nc(N)c2ncn(CCCCNC(=S)Nc3ccccc3)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 12/20 0.44
MAPKAPK2 P49137 3/20 0.43
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 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
SCHEMBL6776681 0.89 QPCT (0.55) QPCTMAPKAPK2KMT2ALMNAGAA
SCHEMBL6777509 0.88 FAAH (0.47) KMT2ALMNAGAA
SCHEMBL6778367 0.87 LMNA (0.44) KMT2ALMNAGAA
SCHEMBL6778362 0.86 HRH2 (0.38) QPCTKMT2ALMNA
SCHEMBL6778820 0.86 QPCT (0.38) QPCTKMT2A
SCHEMBL6773010 0.82 ALDH1A1 (0.43) KMT2AGAA
SCHEMBL6768483 0.82 DRD3 (0.44) KMT2ALMNAGAA
SCHEMBL6779314 0.80 QPCT (0.45) QPCTMAPKAPK2KMT2ALMNAGAA
SCHEMBL6674213 0.79 TLR7 (0.50) KMT2A
SCHEMBL6098139 0.79 DYRK1A (0.37)

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-100402528-C Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-07-16 CN claimed
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