SCHEMBL31323628

SCHEMBL31323628

CC(C)(C)OC(=O)Nc1cc(C2CC2)nc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 3/20 0.40
▸ BRAF P15056 1/20 0.38
▸ ATR Q13535 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ DGAT1 O75907 2/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ TMIGD3 P0DMS9 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL31093794 0.86 MAPKAPK2 (0.39) MAPKAPK2BRAFATRPOLBDGAT1
SCHEMBL27141821 0.83 ATR (0.42) MAPKAPK2BRAFATRCYP17A1AAK1
SCHEMBL25136736 0.81 ATR (0.40) MAPKAPK2ATRCYP17A1AAK1BRD9
SCHEMBL25137117 0.81 ATR (0.40) MAPKAPK2ATRPOLBCYP17A1AAK1
SCHEMBL30050497 0.80 ATR (0.37) MAPKAPK2BRAFATRNPSR1DGAT1
SCHEMBL29023131 0.80 ATR (0.37) MAPKAPK2BRAFATRNPSR1DGAT1
SCHEMBL25136697 0.80 ATR (0.40) MAPKAPK2ATRCYP17A1AAK1BRD9
SCHEMBL26709368 0.79 RXFP1 (0.40) MAPKAPK2ATRPOLBCYP17A1AAK1
SCHEMBL21783471 0.78 BRAF (0.41) MAPKAPK2BRAFATRCYP17A1DGAT1
SCHEMBL30045766 0.78 BRAF (0.41) MAPKAPK2BRAFATRCYP17A1DGAT1

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-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
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