SCHEMBL2819239

SCHEMBL2819239

COc1cnc(-c2ccccn2)nc1Nc1ccc(N2CCN(C)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.54
TRPM8 Q7Z2W7 9/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
CCND3 P30281 5/20 0.47
CDK6 Q00534 5/20 0.47
CCNK O75909 4/20 0.47
CDK9 P50750 4/20 0.47
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
KDM4E B2RXH2 1/20 0.44
HTT P42858 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
Hydrochloric Acid SCHEMBL2827762 0.99 CTSC (0.53) CTSCTRPM8MAPTSMN1; SMN2L3MBTL1
SCHEMBL2820211 0.92 TRPM8 (0.56) CTSCTRPM8MAPTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL2821111 0.91 TRPM8 (0.55) CTSCTRPM8MAPTSMN1; SMN2L3MBTL1
SCHEMBL2820000 0.89 TRPM8 (0.55) CTSCTRPM8MAPTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL2827759 0.89 TRPM8 (0.54) CTSCTRPM8MAPTSMN1; SMN2L3MBTL1
SCHEMBL4893335 0.87 CTSC (0.50) CTSCCCND3CDK6CCNKCDK9
SCHEMBL2824172 0.81 TRPM8 (0.51) TRPM8MAPTSMN1; SMN2L3MBTL1MITF
SCHEMBL2822086 0.81 TRPM8 (0.62) TRPM8MAPTSMN1; SMN2L3MBTL1MITF
SCHEMBL2820941 0.81 TRPM8 (0.68) TRPM8MAPTSMN1; SMN2L3MBTL1MITF
Hydrochloric Acid SCHEMBL2824138 0.81 TRPM8 (0.50) TRPM8MAPTSMN1; SMN2L3MBTL1MITF

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 5 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
EP-1742634-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAgen, Incorporated (US) 2007-01-17 EP disclosed
WO-2005099711-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed