SCHEMBL16095604

SCHEMBL16095604

N#Cc1ccnc(-c2nc[nH]c2C(Br)c2ccccc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.36
▸ GRM5 P41594 3/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ PAK1 Q13153 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ METAP1 P53582 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ NPY5R Q15761 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
SCHEMBL16095837 0.82 KDM4C (0.36) KDM4CGRM5JAK2TYK2KCNH2
SCHEMBL16095272 0.75 NPY5R (0.35) KCNH2NPY5R
SCHEMBL16094450 0.74 NPY5R (0.34) LRRK2KCNH2NPY5R
SCHEMBL16095178 0.74 KDM4C (0.36) KDM4CGRM5KCNH2
SCHEMBL16033875 0.71 NPY5R (0.38) KDM4CGRM5METAP2METAP1KCNH2
SCHEMBL16095192 0.70 MGLL (0.38) TYK2KCNH2NPY5R
SCHEMBL17604548 0.68 NPY5R (0.38) KDM4CGRM5METAP2METAP1KCNH2
SCHEMBL16095225 0.67 NPY5R (0.41) KCNH2NPY5R
SCHEMBL16034110 0.66 KDM4C (0.59) KDM4CGRM5
SCHEMBL16032441 0.66 KMO (0.42) KDM4CKCNH2NPY5R

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
EP-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
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