SCHEMBL21180669

SCHEMBL21180669

c1ccc(-n2c3ccccc3c3c(-c4cc5cc6c(cc5c5cc(-c7cccnc7)ccc45)oc4ccccc46)cccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ CYP19A1 P11511 2/20 0.34
▸ MAPT P10636 5/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL15946239 0.84 KDM4E (0.39) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL15912276 0.83 BTK (0.37) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15946259 0.82 CYP11B1 (0.38) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21180594 0.82 BTK (0.35) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21180638 0.81 MAPT (0.34) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL15946243 0.80 KDM4E (0.39) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL15946248 0.80 CYP11B1 (0.46) PIK3CAPGRCYP19A1MAPTKDM4E
SCHEMBL15912275 0.79 BTK (0.35) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16472779 0.78 CYP11B1 (0.41) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL16472821 0.78 CYP11B1 (0.41) MAPTKDM4ERAB9ANPC1ALDH1A1

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-10361380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 — — US disclosed
Send feedback