SCHEMBL13683139

SCHEMBL13683139

Cc1cc(C(=O)c2nn(C)c(C)c2C#N)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.35
▸ GRM2 Q14416 4/20 0.34
▸ KDM5A P29375 2/20 0.33
▸ KDM4C Q9H3R0 2/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ JMJD6 Q6NYC1 1/20 0.32
▸ CCR9 P51686 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL14044112 0.84 GRM2 (0.36) GRM2PKMPLA2G2ARECQLALDH1A1
SCHEMBL16200404 0.80 POLB (0.43) GRM5PROKR1RECQLALDH1A1KDM4E
SCHEMBL13683131 0.80 GRM5 (0.42) GRM5KDM5AKDM4CKDM5BPROKR1
SCHEMBL16200410 0.80 NPSR1 (0.48) GRM5ALDH1A1KDM4EPOLBLMNA
SCHEMBL13184263 0.72 BAZ2B (0.47) KDM5AKDM4CKDM5BPROKR1ALDH1A1
SCHEMBL3356107 0.72 UHRF1 (0.50) KDM5AKDM4CKDM5BPROKR1ALDH1A1
SCHEMBL13184255 0.71 MAPT (0.37) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL13184401 0.71 KDM4E (0.39) GRM5KDM5AKDM4CKDM5BPROKR1
SCHEMBL14139367 0.70 ALDH1A1 (0.34) PROKR1RECQLALDH1A1GAAPOLB
SCHEMBL18752578 0.68 UHRF1 (0.42) KDM5AKDM4CKDM5BPROKR1ALDH1A1

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
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