SCHEMBL30622862

SCHEMBL30622862

C[C@@H]1c2c(I)c(-c3ccc(F)cc3)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 2/20 0.37
▸ CSNK1E P49674 2/20 0.37
▸ GRIA1 P42261 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ UGCG Q16739 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SETD7 Q8WTS6 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL26645130 1.00 CSNK1D (0.37) CSNK1DCSNK1EGRIA1MMP13TGFBR1
SCHEMBL30622921 0.90 NR1H2 (0.40) MMP13UGCGSETD7
SCHEMBL26645124 0.90 NR1H2 (0.40) MMP13UGCGSETD7
SCHEMBL29308625 0.88 CSNK1D (0.39) CSNK1DCSNK1EGRIA1MMP13TGFBR1
SCHEMBL26645086 0.86 CSNK1E (0.39) CSNK1DCSNK1EUGCGMEN1KMT2A
SCHEMBL30622831 0.85 MAPK14 (0.43) CSNK1DCSNK1EGRIA1
SCHEMBL30622940 0.79 CSNK1D (0.37) CSNK1DCSNK1EGRIA1MMP13TGFBR1
SCHEMBL30622815 0.79 CSNK1D (0.37) CSNK1DCSNK1EGRIA1MMP13TGFBR1
SCHEMBL29308624 0.79 GRM5 (0.38) CSNK1DCSNK1EMMP13HDAC1HDAC2
SCHEMBL16711450 0.79 CSNK1E (0.52) CSNK1DCSNK1EGRIA1MMP13TGFBR1

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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