SCHEMBL7154081

SCHEMBL7154081

COc1ccc(Nc2[nH]c(N)nc3nc(C4CCC(N)CC4)nc2-3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ PDE9A O76083 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ NPC1 O15118 3/20 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
SCHEMBL7157428 0.71 MAPK6 (0.39) KDM1AMEN1KMT2A
SCHEMBL7157418 0.71 MAPK6 (0.39) KDM1AMEN1KMT2A
SCHEMBL7156619 0.71 PDE10A (0.30) —
Hydrochloric Acid SCHEMBL4897810 0.70 MAPK6 (0.38) KDM1AMEN1KMT2A
SCHEMBL16649499 0.64 RAB9A (0.52) NR4A1GAAL3MBTL1MEN1KMT2A
SCHEMBL2177922 0.63 RAB9A (0.51) GAAL3MBTL1MEN1KMT2ARAB9A
SCHEMBL8598760 0.61 KDM1A (0.55) KDM1AHTR2CMEN1KMT2ASMN1; SMN2
SCHEMBL17729977 0.61 KDM1A (0.55) KDM1AHTR2CMEN1KMT2ASMN1; SMN2
SCHEMBL14686148 0.61 RAB9A (0.40) GAAMEN1KMT2ARAB9AMAPK8
SCHEMBL16404477 0.61 PDE5A (0.66) KDM1AL3MBTL1MEN1KMT2AADORA3

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-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 — — EP disclosed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 — — WO disclosed
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