SCHEMBL30784134

SCHEMBL30784134

Cc1cc(Br)c2nc(Cl)n(CC(F)(F)F)c(=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 3/20 0.38
▸ EGFR P00533 1/20 0.37
▸ METAP2 P50579 10/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ PIK3CA P42336 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30784186 0.87 METAP2 (0.38) DDR1EGFRMETAP2CNR1TSHR
SCHEMBL30721027 0.84 DDR1 (0.42) DDR1EGFRTSHRALDH1A1HTT
SCHEMBL25360747 0.84 DDR1 (0.42) DDR1EGFRTSHRALDH1A1HTT
SCHEMBL30784349 0.80 DDR1 (0.38) DDR1EGFRTSHRALDH1A1LMNA
SCHEMBL30784327 0.79 ALDH1A1 (0.47) DDR1EGFRTSHRALDH1A1
SCHEMBL30783630 0.77 METAP2 (0.39) METAP2PIK3CALMNASMN1; SMN2
SCHEMBL30784012 0.77 PDE1A (0.38) DDR1EGFRPIK3CAHTT
SCHEMBL30336004 0.76 EGFR (0.43) DDR1EGFRTSHRALDH1A1HTT
SCHEMBL25360881 0.76 EGFR (0.43) DDR1EGFRTSHRALDH1A1HTT
SCHEMBL30784459 0.73 EGFR (0.40) DDR1EGFRHTT

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
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