SCHEMBL14044161

SCHEMBL14044161

CCn1nc(CN(C)C)c(Cl)c1-c1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
HTR2C P28335 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16200162 0.82 ALDH1A1 (0.33) HTR2C
SCHEMBL13184346 0.64 KDM4E (0.35) HTR2CKMT2A
SCHEMBL24638363 0.64 MPO (0.49) HTR2CKMT2A
SCHEMBL16200192 0.63 IDO1 (0.36)
SCHEMBL12092497 0.59 BPTF (0.31) GAA
SCHEMBL16200140 0.58 DRD4 (0.34)
SCHEMBL24517461 0.57 KDM4A (0.41)
SCHEMBL13430368 0.57 LMNA (0.42) KMT2A
SCHEMBL19354675 0.57 CHRNB2 (0.41) GAAKMT2A
SCHEMBL12092424 0.56 CXCR4 (0.43)

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-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed