SCHEMBL3156668

SCHEMBL3156668

COc1cccc(N2CCN(CC(=O)Nc3cc(NCCNC(C)=O)nc(-c4ccccc4)n3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ USP2 O75604 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ GFER P55789 3/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ DRD4 P21917 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ GAA P10253 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL3165286 0.93 USP2 (0.57) MAPTUSP2TSHRSMN1; SMN2LMNA
SCHEMBL3162425 0.92 EGFR (0.53) MAPTUSP2TSHRSMN1; SMN2LMNA
SCHEMBL3164831 0.90 MAPT (0.50) MAPTUSP2TSHRSMN1; SMN2LMNA
SCHEMBL3156070 0.89 TSHR (0.54) MAPTUSP2TSHRSMN1; SMN2LMNA
SCHEMBL3175543 0.88 EGFR (0.50) MAPTUSP2TSHRSMN1; SMN2LMNA
SCHEMBL3169692 0.88 ADORA3 (0.47) MAPTUSP2TSHRSMN1; SMN2LMNA
SCHEMBL3258722 0.87 EGFR (0.46) MAPTUSP2TSHRSMN1; SMN2LMNA
SCHEMBL3170421 0.86 SMN1; SMN2 (0.55) USP2TSHRSMN1; SMN2HTTMEN1
SCHEMBL3166249 0.86 GAA (0.54) MAPTUSP2TSHRSMN1; SMN2MEN1
SCHEMBL3175833 0.86 DRD4 (0.51) MAPTUSP2TSHRSMN1; SMN2LMNA

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-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 — — EP disclosed
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