SCHEMBL6773253

SCHEMBL6773253

Cc1nc(N)c2nc(C)n(CCNC(=O)c3ccc(F)cc3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
TP53 P04637 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6774104 0.94 POLB (0.44) GAAPOLBHTTTP53ABL1
SCHEMBL6773364 0.90 RXFP1 (0.43) GAAPOLBHPGDKDM4EALDH1A1
SCHEMBL6774657 0.89 MAPT (0.49) GAAPOLBHPGDKDM4EALDH1A1
SCHEMBL6768729 0.88 TLR7 (0.47) GAAPOLBHPGDKDM4EALDH1A1
SCHEMBL6771355 0.88 POLB (0.47) POLBHPGDKDM4EALDH1A1MAPT
SCHEMBL6779087 0.87 NOS3 (0.48) GAAPOLBHPGDNAMPTKDM4E
SCHEMBL6780394 0.86 TRPV1 (0.47) MAPT
SCHEMBL6768482 0.85 IDO1 (0.47) POLBALDH1A1PKMTP53MAPT
SCHEMBL6774081 0.85 RAB9A (0.44) POLBKDM4E
SCHEMBL6772992 0.84 HDAC3 (0.40) GAANAMPTALDH1A1HTTCD274

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