SCHEMBL27882584

SCHEMBL27882584

Nc1ncnc2c1c(CCCO)nn2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.54
▸ PIK3CA P42336 2/20 0.54
▸ PIK3CB P42338 2/20 0.54
▸ PIK3CG P48736 2/20 0.54
▸ PRKDC P78527 2/20 0.54
▸ BTK Q06187 3/20 0.48
▸ RET P07949 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SRC P12931 1/20 0.45
▸ FYN P06241 2/20 0.44
▸ LYN P07948 1/20 0.44
▸ BLK P51451 1/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ PI4KA P42356 1/20 0.44
▸ PI4K2B Q8TCG2 1/20 0.44
▸ PI4K2A Q9BTU6 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
SCHEMBL1318725 0.78 BTK (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30013557 0.78 SRC (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12436039 0.75 SRC (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29390295 0.75 SRC (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29651580 0.75 SRC (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129970 0.75 SRC (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12758 0.74 ADORA2A (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12123495 0.74 SRC (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13019685 0.72 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27882598 0.72 PIK3CG (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812013-B Novel benzopyran kinase modulators RHIZEN PHARMACEUTICALS S.A. (CH) 2016-05-25 — — CN disclosed
CN-102812013-A Novel Benzopyran Kinase Modulators INCOZEN THERAPEUTICS PVT LTD 2012-12-05 — — CN disclosed
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