SCHEMBL6897844

SCHEMBL6897844

Cc1nc(N)c2ncn(CCCCNC(=O)Nc3cccc(C#N)c3)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 14/20 0.46
HTR2A P28223 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6777932 0.87 MAPT (0.43) CCR3HTR2ASMN1; SMN2NPC1RAB9A
SCHEMBL6777509 0.87 FAAH (0.47) MEN1MAPTKMT2ALMNAALDH1A1
SCHEMBL6769799 0.86 MCHR1 (0.50)
SCHEMBL14592805 0.86 CCR3 (0.49) CCR3HTR2ASMN1; SMN2MEN1MAPT
SCHEMBL6779213 0.86 KMT2A (0.49) CCR3HTR2ANPC1RAB9AMAPT
SCHEMBL6783081 0.86 MAPT (0.42) CCR3SMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL6776742 0.83 CCR3 (0.48) CCR3HTR2ASMN1; SMN2NPC1RAB9A
SCHEMBL6777400 0.81 CCR3 (0.45) CCR3HTR2ASMN1; SMN2NPC1RAB9A
SCHEMBL6778468 0.80 HDAC3 (0.49) CCR3SMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL6784710 0.80 GLO1 (0.38) L3MBTL1MAPTKMT2A

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