SCHEMBL26645023

SCHEMBL26645023

COc1ccccc1-c1nn2c(c1I)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.43
▸ CSNK1D P48730 3/20 0.42
▸ CSNK1E P49674 3/20 0.42
▸ TP53 P04637 1/20 0.40
▸ ALK Q9UM73 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CACNB4 O00305 2/20 0.39
▸ CACNA1A O00555 2/20 0.39
▸ CACNA1G O43497 2/20 0.39
▸ CACNG3 O60359 2/20 0.39
▸ CACNA1F O60840 2/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ CACNB3 P54284 2/20 0.39
▸ CACNA2D1 P54289 2/20 0.39
▸ CACNG7 P62955 2/20 0.39
▸ CACNA1B Q00975 2/20 0.39
▸ CACNA1D Q01668 2/20 0.39
▸ CACNB1 Q02641 2/20 0.39
▸ CACNG1 Q06432 2/20 0.39
▸ CACNB2 Q08289 2/20 0.39

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
SCHEMBL26645106 0.84 CSNK1D (0.42) MERTKCSNK1DCSNK1EMAPK1APLNR
SCHEMBL26645223 0.81 ALDH1A1 (0.48) CSNK1EMEN1KMT2AALDH1A1
SCHEMBL26645413 0.81 SUV39H2 (0.44) CSNK1EALKMAPK1CACNB4CACNA1A
SCHEMBL26645586 0.81 CSNK1E (0.44) CSNK1DCSNK1EALKGRM5GRM1
SCHEMBL30622957 0.81 SUV39H2 (0.44) CSNK1EALKMAPK1CACNB4CACNA1A
SCHEMBL30623018 0.81 CSNK1E (0.44) CSNK1DCSNK1EALKGRM5GRM1
SCHEMBL16711450 0.80 CSNK1E (0.52) CSNK1DCSNK1EMEN1KMT2A
SCHEMBL26645129 0.78 RORC (0.47) CSNK1DCSNK1EMEN1KMT2A
SCHEMBL23389905 0.78 GRM5 (0.42) CSNK1DCSNK1EMAPK1GRM5
SCHEMBL29796687 0.78 GRM5 (0.42) CSNK1DCSNK1EMAPK1GRM5

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-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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