SCHEMBL20798380

SCHEMBL20798380

C[C@H]1CCCN1c1ccc(C=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.42
▸ SMPD3 Q9NY59 2/20 0.41
▸ CHRM4 P08173 8/20 0.40
▸ JAK3 P52333 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ KLK1 P06870 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ EED O75530 1/20 0.36
▸ SUZ12 Q15022 1/20 0.36
▸ EZH2 Q15910 1/20 0.36
▸ PDE10A Q9Y233 3/20 0.36

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
SCHEMBL20797592 1.00 KCNJ1 (0.42) KCNJ1SMPD3CHRM4JAK3KLKB1
SCHEMBL20810990 0.91 KCNJ1 (0.44) KCNJ1CHRM4FFAR1
SCHEMBL30249570 0.79 MTOR (0.43) —
SCHEMBL20810821 0.79 KCNJ1 (0.40) KCNJ1FFAR1PDE10A
SCHEMBL25082252 0.79 MTOR (0.43) —
SCHEMBL25359631 0.79 MTOR (0.43) —
SCHEMBL20810820 0.79 KCNJ1 (0.40) KCNJ1FFAR1PDE10A
SCHEMBL31463476 0.79 MTOR (0.43) —
SCHEMBL20797535 0.78 KCNJ1 (0.46) KCNJ1
SCHEMBL20797345 0.78 KCNJ1 (0.46) KCNJ1

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
Send feedback