SCHEMBL6778468

SCHEMBL6778468

Cc1nc(N)c2ncn(CCCCNC(=O)Nc3ccc(N(C)C)cc3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
CCR3 P51677 2/20 0.40
CNR1 P21554 1/20 0.39
F7 P08709 1/20 0.38
QPCT Q16769 9/20 0.37
FAAH O00519 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6777509 0.89 FAAH (0.47) HDAC1HDAC8HDAC6FAAHMEN1
SCHEMBL6777932 0.82 MAPT (0.43) CCR3QPCTNPC1GAACYP2D6
SCHEMBL6773196 0.81 ALDH1A1 (0.39) HDAC1HDAC2ALDH1A1KMT2A
SCHEMBL6778478 0.81 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6779213 0.81 KMT2A (0.49) CCR3QPCTNPC1ALDH1A1MAPT
SCHEMBL6783081 0.81 MAPT (0.42) CCR3QPCTFAAHMEN1NPC1
SCHEMBL6098139 0.80 DYRK1A (0.37) ALDH1A1
SCHEMBL6897844 0.80 CCR3 (0.46) CCR3MEN1NPC1ALDH1A1MAPT
SCHEMBL6775784 0.80 DRD2 (0.37) NPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6784160 0.80 EPHX1 (0.38) MEN1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100402528-C Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-07-16 CN claimed
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