SCHEMBL30622801

SCHEMBL30622801

C[C@@H]1Cn2nc(-c3ccc(C(F)(F)F)cc3)c(I)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ SMO Q99835 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ SETD7 Q8WTS6 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ MAP2K4 P45985 1/20 0.35
▸ CTSS P25774 2/20 0.34
▸ TRPM2 O94759 1/20 0.34
▸ ENPP2 Q13822 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
SCHEMBL30622988 1.00 NR1H2 (0.39) NR1H2NR1H3SMOMAPTGPR119
SCHEMBL30622815 0.90 CSNK1D (0.37) SMOSETD7
SCHEMBL30622940 0.90 CSNK1D (0.37) SMOSETD7
SCHEMBL30622953 0.88 KCNK3 (0.42) SMOSETD7
SCHEMBL30622883 0.88 KCNK3 (0.42) SMOSETD7
SCHEMBL26645392 0.86 SMO (0.43) SMOTRPM2
SCHEMBL26645185 0.86 SMO (0.43) SMOTRPM2
SCHEMBL26645635 0.82 MAPT (0.46) MAPTGPR119CTSSENPP2
SCHEMBL30622921 0.80 NR1H2 (0.40) NR1H2NR1H3SMOMAPTGPR119
SCHEMBL26645124 0.80 NR1H2 (0.40) NR1H2NR1H3SMOMAPTGPR119

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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