SCHEMBL30622977

SCHEMBL30622977

C[C@@H]1Cn2nc(-c3ccc(C(F)(F)F)cc3)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ P2RY14 Q15391 5/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ SETD7 Q8WTS6 1/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ TACR1 P25103 3/20 0.35
▸ MAP2K4 P45985 1/20 0.35

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
SCHEMBL30623073 1.00 NR1H2 (0.41) NR1H2NR1H3P2RY14GRM5SCN9A
SCHEMBL30622961 0.90 GRM5 (0.46) GRM5SETD7PDK1PDK2TACR1
SCHEMBL30622799 0.90 GRM5 (0.46) GRM5SETD7PDK1PDK2TACR1
SCHEMBL30622912 0.88 CACNB4 (0.39) GRM5SETD7
SCHEMBL30622811 0.88 CACNB4 (0.39) GRM5SETD7
SCHEMBL26645036 0.86 GRM5 (0.39) GRM5PDK1PDK2
SCHEMBL26645490 0.86 GRM5 (0.39) GRM5PDK1PDK2
SCHEMBL26645099 0.80 GRM5 (0.48) NR1H2P2RY14GRM5MAPTGPR119
SCHEMBL30622988 0.79 NR1H2 (0.39) NR1H2NR1H3MAPTGPR119ENPP2
SCHEMBL30622801 0.79 NR1H2 (0.39) NR1H2NR1H3MAPTGPR119ENPP2

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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