SCHEMBL21386702

SCHEMBL21386702

Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)nc3)c12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.50
▸ PIK3CA P42336 4/20 0.50
▸ PIK3CB P42338 4/20 0.50
▸ PIK3CG P48736 4/20 0.50
▸ PRKDC P78527 4/20 0.50
▸ NUDT14 O95848 2/20 0.50
▸ NUDT5 Q9UKK9 2/20 0.50
▸ LTA4H P09960 1/20 0.48
▸ BTK Q06187 12/20 0.44
▸ MAP4K4 O95819 1/20 0.43
▸ FGR P09769 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ CSK P41240 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.40
▸ LCK P06239 1/20 0.39
▸ LYN P07948 1/20 0.39

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
SCHEMBL30415808 1.00 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL200349 0.86 NUDT14 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL29439185 0.85 NUDT14 (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387716 0.80 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21772444 0.79 MAPK1 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5065122 0.79 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL408618 0.78 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL17626717 0.78 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL22692856 0.78 ERBB2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Trifluoroacetic Acid SCHEMBL29836326 0.77 NUDT14 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-3543239-A1 SELECTIVE BRUTON'S TYROSINE KINASE INHIBITOR AND USE THEREOF Hangzhou Hertz Pharmaceutical Co., Ltd. (CN) 2019-09-25 — — EP disclosed
Send feedback