SCHEMBL3163864

SCHEMBL3163864

CC(=O)NCCNc1cc(NC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SLC6A7 Q99884 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ ADORA2A P29274 4/20 0.42
▸ ADORA1 P30542 3/20 0.42
▸ ADORA2B P29275 3/20 0.42
▸ ADORA3 P0DMS8 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL3166495 0.94 SLC1A2 (0.44) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL3162484 0.92 MAPT (0.44) LMNAMAPTKDM4EKMT2APOLB
SCHEMBL3155601 0.92 ADORA2A (0.42) MAPTADORA2AADORA1ADORA2BADORA3
SCHEMBL3164671 0.90 ADORA2A (0.41) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL3260451 0.90 SLC1A2 (0.52) MAPTMEN1KMT2APOLBADORA3
SCHEMBL3161165 0.89 ABCG2 (0.45) POLBADORA2AADORA1ADORA2BADORA3
SCHEMBL3156119 0.89 PHGDH (0.42) LMNAMAPTMEN1KMT2APOLB
SCHEMBL3174104 0.89 ADORA2A (0.41) MAPTPOLBADORA2AADORA1ADORA2B
SCHEMBL3171368 0.88 ADORA3 (0.45) MAPTKDM4EMEN1KMT2AADORA2A
SCHEMBL3170204 0.88 KMT2A (0.43) LMNAMAPTKDM4EMEN1KMT2A

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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