SCHEMBL20797535

SCHEMBL20797535

C[C@@H]1CC[C@H](C)N1c1ccc(C=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.46
▸ CNR2 P34972 8/20 0.46
▸ KDM4E B2RXH2 1/20 0.36
▸ CNR1 P21554 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MYC P01106 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 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
SCHEMBL20797345 1.00 KCNJ1 (0.46) KCNJ1CNR2KDM4ECNR1ALDH1A1
SCHEMBL20810916 1.00 KCNJ1 (0.46) KCNJ1CNR2KDM4ECNR1ALDH1A1
SCHEMBL20797611 1.00 KCNJ1 (0.46) KCNJ1CNR2KDM4ECNR1ALDH1A1
SCHEMBL20797677 0.92 KCNJ1 (0.47) KCNJ1CNR2KDM4EALDH1A1KMT2A
SCHEMBL20797376 0.83 KCNJ1 (0.43) KCNJ1CNR2KDM4EALDH1A1KMT2A
SCHEMBL20810990 0.81 KCNJ1 (0.44) KCNJ1KDM4EMAPT
SCHEMBL20797592 0.78 KCNJ1 (0.42) KCNJ1
SCHEMBL20798380 0.78 KCNJ1 (0.42) KCNJ1
SCHEMBL8435280 0.75 CNR2 (0.47) CNR2KDM4ECNR1ALDH1A1MYC
SCHEMBL20692500 0.73 HDAC1 (0.46) KCNJ1CNR2KDM4EMAPT

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
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 — — WO disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 — — WO disclosed
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