SCHEMBL6774657

SCHEMBL6774657

Cc1nc(N)c2nc(C)n(CCNC(=O)c3ccccc3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
PKM P14618 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 5/20 0.46
GAA P10253 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
GLA P06280 3/20 0.43
TLR7 Q9NYK1 4/20 0.42

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
SCHEMBL6781809 0.92 POLB (0.42) MAPTALDH1A1PKMSMN1; SMN2NPC1
SCHEMBL6782569 0.90 SMN1; SMN2 (0.44) MAPTALDH1A1PKMSMN1; SMN2NPC1
SCHEMBL6773253 0.89 GAA (0.41) MAPTALDH1A1PKMPOLBGAA
SCHEMBL6768482 0.89 IDO1 (0.47) MAPTALDH1A1PKMSMN1; SMN2NPC1
SCHEMBL6768729 0.88 TLR7 (0.47) MAPTALDH1A1PKMSMN1; SMN2NPC1
SCHEMBL6771355 0.87 POLB (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6773364 0.87 RXFP1 (0.43) MAPTALDH1A1PKMNPC1POLB
SCHEMBL6779087 0.86 NOS3 (0.48) ALDH1A1PKMRAB9AMEN1KMT2A
SCHEMBL6773842 0.86 SMN1; SMN2 (0.50) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6773218 0.85 MCHR1 (0.47) MAPTALDH1A1PKMPOLBGAA

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