SCHEMBL30405300

SCHEMBL30405300

NCc1ccc(Cn2nc(-c3ccc4ocnc4c3)c3c(N)ncnc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 10/20 0.56
▸ PIK3CG P48736 9/20 0.56
▸ PIK3CA P42336 8/20 0.56
▸ PIK3CB P42338 7/20 0.56
▸ PRKDC P78527 7/20 0.56
▸ MTOR P42345 10/20 0.55
▸ HDAC1 Q13547 3/20 0.55
▸ BTK Q06187 2/20 0.51
▸ ABL1 P00519 3/20 0.49
▸ EGFR P00533 1/20 0.49
▸ HCK P08631 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ EPHB4 P54760 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ DDR1 Q08345 3/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL30363757 0.85 MTOR (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL21527964 0.85 MTOR (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL30353302 0.82 MTOR (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL30277454 0.79 BTK (0.69) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL19299699 0.78 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
Trifluoroacetic Acid SCHEMBL29669759 0.78 MTOR (0.71) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
Trifluoroacetic Acid SCHEMBL20552928 0.78 MTOR (0.71) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL30405342 0.77 MTOR (0.43) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL25678062 0.76 MTOR (0.73) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL19294557 0.75 MTOR (0.71) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC

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-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 — — EP disclosed
Send feedback