SCHEMBL2821103

SCHEMBL2821103

COc1cnc(-c2ccccn2)nc1-c1cc(N(C)C)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 11/20 0.57
▸ SMN1; SMN2 Q16637 9/20 0.57
▸ MAPT P10636 5/20 0.57
▸ HTT P42858 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ KMT2A Q03164 8/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ LMNA P02545 5/20 0.46
▸ TRPM8 Q7Z2W7 4/20 0.46
▸ PPP1CA P62136 7/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MITF O75030 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL2822236 0.86 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443064 0.76 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443569 0.73 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL10270342 0.70 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443058 0.69 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1442979 0.69 MEN1 (1.00) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1442223 0.68 LMNA (0.67) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443372 0.67 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443054 0.66 TRPM8 (0.60) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL23837648 0.66 TRPM8 (0.73) L3MBTL1SMN1; SMN2MAPTHTTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 — — EP claimed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 — — US claimed
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 — — EP disclosed
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