SCHEMBL30952052

SCHEMBL30952052

Nc1cc(I)c(Br)cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.35
▸ PRKDC P78527 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL15713801 0.82 ERN1 (0.40) ERN1PRKDCCA1CA2CA9
SCHEMBL24233251 0.79 — —
SCHEMBL13814618 0.77 ERN1 (0.36) ERN1CA1CA2CA9
SCHEMBL29911304 0.77 ERN1 (0.36) ERN1CA1CA2CA9
SCHEMBL19269479 0.75 TSHR (0.41) ERN1PRKDCLMNA
SCHEMBL2226305 0.75 ERN1 (0.39) ERN1PRKDCCA1CA2CA9
SCHEMBL32659849 0.75 ERN1 (0.41) ERN1PRKDCCA1CA2CA9
SCHEMBL14733521 0.75 ERN1 (0.41) ERN1PRKDCCA1CA2CA9
SCHEMBL30952047 0.75 ERN1 (0.35) ERN1PRKDCLMNA
SCHEMBL31055919 0.75 ERN1 (0.48) ERN1PRKDC

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
EP-4630001-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Merck Sharp & Dohme LLC (US) 2025-10-15 — — EP disclosed
WO-2024123585-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-13 — — WO disclosed
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