SCHEMBL23912241

SCHEMBL23912241

CCc1nc2cccc(OCCN3CCCCC3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.60
KCNH2 Q12809 11/20 0.60
PIK3CD O00329 5/20 0.55
ADRA1A P35348 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL23912309 1.00 HRH3 (0.60) HRH3KCNH2PIK3CDADRA1ATDP1
SCHEMBL23912306 0.90 PIK3CD (0.56) HRH3KCNH2PIK3CDMEN1ALDH1A1
SCHEMBL17458351 0.84 PIK3CD (0.66) HRH3KCNH2PIK3CDADRA1A
SCHEMBL17458104 0.84 PIK3CD (0.66) HRH3KCNH2PIK3CDADRA1A
SCHEMBL17458105 0.84 PIK3CD (0.66) HRH3KCNH2PIK3CDADRA1A
SCHEMBL17458349 0.84 PIK3CD (0.66) HRH3KCNH2PIK3CDADRA1A
SCHEMBL17458329 0.84 PIK3CD (0.66) HRH3KCNH2PIK3CDADRA1A
SCHEMBL17458327 0.84 PIK3CD (0.66) HRH3KCNH2PIK3CDADRA1A
SCHEMBL17458343 0.82 PIK3CD (0.65) HRH3KCNH2PIK3CDMEN1KMT2A
SCHEMBL17458196 0.82 PIK3CD (0.65) HRH3KCNH2PIK3CDMEN1KMT2A

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-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed