SCHEMBL25136697

SCHEMBL25136697

CC(C)(C)OC(=O)Nc1cc(Br)nc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.40
▸ CYP17A1 P05093 1/20 0.38
▸ LCK P06239 4/20 0.37
▸ MAPKAPK2 P49137 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ AAK1 Q2M2I8 4/20 0.35
▸ KCNQ4 P56696 1/20 0.35
▸ KCNQ5 Q9NR82 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL27141821 0.87 ATR (0.42) ATRCYP17A1LCKMAPKAPK2RXFP1
SCHEMBL19462166 0.86 LCK (0.44) CYP17A1LCKRXFP1AAK1KCNQ4
SCHEMBL31168594 0.86 LCK (0.44) CYP17A1LCKRXFP1AAK1KCNQ4
SCHEMBL25136736 0.85 ATR (0.40) ATRCYP17A1LCKMAPKAPK2RXFP1
SCHEMBL25137117 0.85 ATR (0.40) ATRCYP17A1LCKMAPKAPK2RXFP1
SCHEMBL26709368 0.83 RXFP1 (0.40) ATRCYP17A1LCKMAPKAPK2RXFP1
SCHEMBL31323628 0.80 MAPKAPK2 (0.40) ATRCYP17A1LCKMAPKAPK2AAK1
SCHEMBL25271015 0.79 ATR (0.45) ATRCYP17A1LCKMAPKAPK2
SCHEMBL6524799 0.78 HSP90AA1 (0.39) ATRCYP17A1LCKRXFP1AAK1
SCHEMBL25136933 0.77 CYP17A1 (0.36) ATRCYP17A1LCKMAPKAPK2RXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735438-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS Merck Patent GmbH (DE) 2026-05-06 — — EP disclosed
WO-2025006783-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS MERCK PATENT GMBH (DE) 2025-01-02 — — WO disclosed
WO-2023061463-A1 NOVEL PYRIMIDOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广东东阳光药业有限公司 2023-04-20 — — WO disclosed
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