SCHEMBL29923652

SCHEMBL29923652

Cc1ccc(N)cc1Oc1ccc(-c2n[nH]c3ncnc(N)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 11/20 0.40
PIK3CD O00329 4/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CG P48736 4/20 0.40
PRKDC P78527 4/20 0.40
KDR P35968 3/20 0.40
ABL1 P00519 2/20 0.40
HCK P08631 2/20 0.40
SRC P12931 2/20 0.40
MTOR P42345 2/20 0.40
EPHB4 P54760 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
NUDT14 O95848 2/20 0.40
NUDT5 Q9UKK9 2/20 0.40
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.37
TEK Q02763 1/20 0.37
BTK Q06187 2/20 0.37
LMNA P02545 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
SCHEMBL28517702 1.00 DDR1 (0.40) DDR1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29923725 0.85 PIK3CD (0.45) DDR1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12713498 0.82 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15613551 0.80 LCK (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL17626654 0.79 NUDT14 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18235468 0.79 KDR (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28519832 0.79 DHFR (0.39) BTKLMNA
SCHEMBL30387175 0.78 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL200349 0.78 NUDT14 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL149528 0.78 KDR (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
CN-112321591-B Discoid domain receptor 1 protein inhibitor, preparation method and application 中国药科大学 2022-11-08 CN disclosed