SCHEMBL14044112

SCHEMBL14044112

CCn1nc(C(=O)c2ccnc(C)c2)c(C#N)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.36
▸ MAPK13 O15264 2/20 0.34
▸ MAPK12 P53778 2/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ SLC2A4 P14672 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ JMJD6 Q6NYC1 1/20 0.33
▸ PLA2G2A P14555 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
SCHEMBL13683139 0.84 GRM5 (0.35) GRM2PKMALDH1A1KDM4EGAA
SCHEMBL13184265 0.81 KDM4E (0.39) ALDH1A1KDM4EGAAPOLBAPOBEC3A
SCHEMBL13184259 0.77 KMT2A (0.39) ALDH1A1KDM4EGAAL3MBTL1ELANE
SCHEMBL13683129 0.73 L3MBTL1 (0.37) ALDH1A1KDM4EL3MBTL1ELANEHPGD
SCHEMBL14043921 0.73 MAPT (0.49) ALDH1A1KDM4EPOLBJMJD6MAPT
SCHEMBL3356107 0.69 UHRF1 (0.50) ALDH1A1KDM4EMAPT
SCHEMBL14139367 0.68 ALDH1A1 (0.34) ALDH1A1GAARECQLPOLBHPGD
SCHEMBL13683131 0.67 GRM5 (0.42) ALDH1A1KDM4EGAAPOLBAPOBEC3A
SCHEMBL16200404 0.67 POLB (0.43) ALDH1A1KDM4EGAARECQLPOLB
SCHEMBL18752578 0.65 UHRF1 (0.42) ALDH1A1KDM4EMAPT

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
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — US disclosed
Send feedback