SCHEMBL14686167

SCHEMBL14686167

Nc1nn2ccnc2c(N)c1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
HSP90AB1 P08238 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RPS6KB1 P23443 1/20 0.33
POLB P06746 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL14686151 0.83 ALDH1A1 (0.49) KMT2AALDH1A1HSP90AB1MEN1LMNA
SCHEMBL3703475 0.64 JAK2 (0.55) JAK2JAK3
SCHEMBL7093887 0.63 HSP90AB1 (0.45) KMT2AALDH1A1HSP90AB1MEN1HTT
SCHEMBL4757863 0.63 NUDT1 (0.35) JAK2JAK3KMT2AALDH1A1MEN1
SCHEMBL4760688 0.63 NPC1 (0.41) JAK2JAK3KMT2AALDH1A1GAA
SCHEMBL5741027 0.61 SMPD3 (0.50) JAK2JAK3
SCHEMBL7508654 0.61 MEN1 (0.51) KMT2AALDH1A1MEN1CYP1A2MAPK1
SCHEMBL4709570 0.61 KDM4E (0.38) JAK2JAK3KMT2AALDH1A1MEN1
SCHEMBL23994765 0.60 ADCY10 (0.38) KMT2AALDH1A1MEN1CYP1A2HTT
SCHEMBL5453382 0.60 KDM4E (0.37) JAK2JAK3KMT2AALDH1A1MEN1

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
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP claimed