SCHEMBL11859522

SCHEMBL11859522

O=CN1CCN(c2nc(N3CCSCC3)c3ncccc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.50
▸ HRH4 Q9H3N8 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PIK3CD O00329 11/20 0.39
▸ PIK3CG P48736 10/20 0.39
▸ MTOR P42345 6/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ GLA P06280 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GBA1 P04062 1/20 0.37

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
SCHEMBL11860847 0.89 PIK3CA (0.59) PIK3CAHRH4L3MBTL1KDM4EALDH1A1
SCHEMBL11856434 0.84 HRH4 (0.63) PIK3CAHRH4KDM4EALDH1A1GBA1
Hydrochloric Acid SCHEMBL11857285 0.83 HRH4 (0.62) PIK3CAHRH4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11862975 0.83 PIK3CA (0.54) PIK3CAHRH4L3MBTL1KDM4EALDH1A1
SCHEMBL11849800 0.82 PIK3CA (0.53) PIK3CAHRH4KDM4EALDH1A1HPGD
SCHEMBL11866288 0.82 PIK3CA (0.53) PIK3CAHRH4KDM4EALDH1A1HPGD
SCHEMBL11856867 0.82 PIK3CA (0.51) PIK3CAHRH4PIK3CDPIK3CGMTOR
SCHEMBL11852798 0.82 LMNA (0.51) PIK3CAHRH4KDM4EALDH1A1MAPT
SCHEMBL11851990 0.81 SLC6A7 (0.52) PIK3CAL3MBTL1KDM4EALDH1A1MTOR
Maleic Acid SCHEMBL11850337 0.78 PIK3CA (0.48) PIK3CAHRH4KDM4EALDH1A1PIK3CD

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
US-3939268-A 2,4-Diamino substituted pyridol(3,2-d)pyrimidine as antithrombotic agents BOEHRINGER INGELHEIM GMBH (DT) 1976-02-17 — — US disclosed
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