SCHEMBL6773386

SCHEMBL6773386

Cc1nc(N)c2nc(C)n(CCCNC(=O)c3cccc(C(F)(F)F)c3)c2c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
EGFR P00533 1/20 0.46
NAMPT P43490 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
ABL1 P00519 2/20 0.42
BCR P11274 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
HDAC2 Q92769 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LCK P06239 1/20 0.40
FES P07332 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL6780200 0.95 ALDH1A1 (0.50) TP53BP1ALDH1A1POLBNAMPTHDAC3
SCHEMBL6772992 0.90 HDAC3 (0.40) ALDH1A1NAMPTHDAC3HDAC1RXFP1
SCHEMBL6772811 0.88 ALDH1A1 (0.46) TP53BP1ALDH1A1POLBEGFRNAMPT
SCHEMBL6779684 0.85 MCHR1 (0.50) ALDH1A1NAMPTDRD2MEN1KMT2A
SCHEMBL6773364 0.84 RXFP1 (0.43) ALDH1A1POLBHDAC3HDAC1RXFP1
SCHEMBL6773077 0.84 MCHR1 (0.49) NAMPTHDAC3GAA
SCHEMBL6779944 0.83 HDAC3 (0.48) HDAC3HDAC1DRD2ADRA1ADRD3
SCHEMBL6773542 0.82 TP53BP1 (0.48) TP53BP1ALDH1A1POLBEGFRNAMPT
SCHEMBL6774104 0.82 POLB (0.44) POLBHDAC3HDAC1ABL1BCR
SCHEMBL6773275 0.81 TRPV1 (0.43) HDAC3HDAC1HDAC2TLR7

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