SCHEMBL30622813

SCHEMBL30622813

CC1c2c(-c3ccnc4[nH]ccc34)c(-c3ccc(C(F)(F)F)cc3)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ AURKB Q96GD4 4/20 0.37
▸ AURKA O14965 3/20 0.37
▸ JAK1 P23458 8/20 0.36
▸ CSNK1D P48730 2/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ JAK2 O60674 5/20 0.35
▸ TYK2 P29597 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ CIT O14578 1/20 0.35
▸ INCENP Q9NQS7 2/20 0.34
▸ LYN P07948 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ MET P08581 1/20 0.34
▸ ROCK1 Q13464 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
SCHEMBL26645277 1.00 BRAF (0.39) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL26645197 0.92 MAPK14 (0.44) AURKBAURKAJAK1CSNK1DMAPK14
SCHEMBL30622975 0.92 MAPK14 (0.44) AURKBAURKAJAK1CSNK1DMAPK14
SCHEMBL30622417 0.87 BRAF (0.40) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL26644987 0.87 BRAF (0.40) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL26645418 0.86 EIF2AK4 (0.35) MAPK14MAPK11NR1H2NR1H3EIF2AK4
SCHEMBL30622793 0.86 EIF2AK4 (0.35) MAPK14MAPK11NR1H2NR1H3EIF2AK4
SCHEMBL30623112 0.82 BRAF (0.38) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL26645356 0.82 BRAF (0.38) BRAFCYP2D6CYP2C9AURKBAURKA
SCHEMBL26644942 0.82 BRAF (0.38) BRAFCYP2D6CYP2C9AURKBAURKA

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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