SCHEMBL6778469

SCHEMBL6778469

Cc1nc(N)c2nc(C)n(CCNC(=O)Nc3ccc(N(C)C)cc3)c2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
CNR1 P21554 1/20 0.42
CCR3 P51677 1/20 0.38
F7 P08709 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CISD2 Q8N5K1 1/20 0.37
NAMPT P43490 1/20 0.37
GAA P10253 2/20 0.37
GLA P06280 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
SCHEMBL6778478 0.94 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6776784 0.88 ALDH1A1 (0.48) HDAC1HDAC8HDAC6ALDH1A1KDM4E
SCHEMBL6777601 0.85 MEN1 (0.48) CNR1CCR3KDM4ECISD2NAMPT
SCHEMBL6777351 0.84 CA12 (0.41) F7ALDH1A1KDM4ENAMPTGAA
SCHEMBL6772950 0.82 FAAH (0.53) HDAC1HDAC8HDAC6CCR3ALDH1A1
SCHEMBL6783075 0.81 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6773506 0.81 NPC1 (0.47) CCR3ALDH1A1KDM4EGAAHSD17B10
SCHEMBL6777152 0.79 MAPT (0.45) CCR3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6782875 0.79 MAPT (0.47) CCR3ALDH1A1CISD2HSD17B10RAB9A
SCHEMBL6778468 0.79 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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-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