SCHEMBL3166249

SCHEMBL3166249

CC(=O)NCCNc1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.54
▸ ME2 P23368 1/20 0.53
▸ ME1 P48163 1/20 0.53
▸ ME3 Q16798 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ EGFR P00533 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DEGS1 O15121 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ USP2 O75604 2/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL3162425 0.95 EGFR (0.53) GAAALDH1A1KDM4EEGFRSMN1; SMN2
SCHEMBL3170421 0.93 SMN1; SMN2 (0.55) GAAME2ME1ME3ALDH1A1
SCHEMBL3162806 0.92 JAK3 (0.51) GAAALDH1A1EGFRSMN1; SMN2DEGS1
SCHEMBL3161698 0.92 ALDH1A1 (0.54) GAAALDH1A1EGFRSMN1; SMN2DEGS1
SCHEMBL3175543 0.91 EGFR (0.50) GAAALDH1A1KDM4EEGFRSMN1; SMN2
SCHEMBL3165286 0.91 USP2 (0.57) ALDH1A1KDM4ESMN1; SMN2TSHRMAPT
SCHEMBL3258722 0.90 EGFR (0.46) GAAALDH1A1KDM4EEGFRSMN1; SMN2
SCHEMBL3166342 0.89 ALDH1A1 (0.57) GAAALDH1A1KDM4EEGFRSMN1; SMN2
SCHEMBL3164831 0.88 MAPT (0.50) GAAALDH1A1KDM4EEGFRSMN1; SMN2
SCHEMBL3175773 0.88 GAA (0.55) GAAALDH1A1EGFRSMN1; SMN2MAPT

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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