SCHEMBL30784510

SCHEMBL30784510

Cc1cc(Br)c2nc(N3CCOCC3)n(C(C)C)c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 8/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CRHR1 P34998 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ EGFR P00533 1/20 0.34

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
SCHEMBL30784051 0.84 HTT (0.43) PIK3CBCRHR1EGFR
SCHEMBL30783689 0.84 PIK3CB (0.39) PIK3CB
SCHEMBL30783887 0.83 ALDH1A1 (0.39) PIK3CB
SCHEMBL30784279 0.81 PIM1 (0.42) PIK3CBKCNH2FLT3PIM1
SCHEMBL30783616 0.81 HTT (0.38) PIK3CBCRHR1EGFR
SCHEMBL30784048 0.81 CRHR1 (0.41) PIK3CBCRHR1EGFR
SCHEMBL30784377 0.81 CCNC (0.45) KCNH2
SCHEMBL30784031 0.79 CCNC (0.44) PIK3CBKCNH2
SCHEMBL30783875 0.79 ALDH1A1 (0.39) PIK3CB
SCHEMBL30783630 0.78 METAP2 (0.39) PIK3CB

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
WO-2024026424-A1 QUINAZOLINONE DERIVATIVES AS AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
Send feedback