SCHEMBL6774081

SCHEMBL6774081

Cc1nc(N)c2nc(C)n(CCNC(=O)c3ccc(Cl)nc3)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
BRD4 O60885 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DGAT1 O75907 1/20 0.39
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
POLB P06746 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6773965 0.94 BRD4 (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6773253 0.85 GAA (0.41) POLBKDM4E
SCHEMBL6768729 0.84 TLR7 (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6773364 0.83 RXFP1 (0.43) NPC1POLBKDM4E
SCHEMBL6771355 0.83 POLB (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6768482 0.82 IDO1 (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6779087 0.82 NOS3 (0.48) RAB9AKMT2AMEN1POLBKDM4E
SCHEMBL6775047 0.81 TLR7 (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6780394 0.80 TRPV1 (0.47)
SCHEMBL6773356 0.79 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed