SCHEMBL26645124

SCHEMBL26645124

CC1c2c(I)c(-c3ccc(C(F)(F)F)cc3)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ GPR119 Q8TDV5 5/20 0.37
▸ SMO Q99835 2/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ UGCG Q16739 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ MAP2K4 P45985 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ HDAC4 P56524 2/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SETD7 Q8WTS6 1/20 0.33
▸ CTSS P25774 2/20 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
SCHEMBL30622921 1.00 NR1H2 (0.40) NR1H2NR1H3MAPTGPR119SMO
SCHEMBL30622862 0.90 CSNK1D (0.37) UGCGMMP13SETD7
SCHEMBL26645130 0.90 CSNK1D (0.37) UGCGMMP13SETD7
SCHEMBL26645645 0.87 SMO (0.41) SMOHTR3AUGCGCHRNB2CHRNB4
SCHEMBL30623093 0.84 TRPM2 (0.35) SMOHTR3AUGCGCHRNB2CHRNB4
SCHEMBL30622801 0.80 NR1H2 (0.39) NR1H2NR1H3MAPTGPR119SMO
SCHEMBL30622988 0.80 NR1H2 (0.39) NR1H2NR1H3MAPTGPR119SMO
SCHEMBL26645635 0.80 MAPT (0.46) MAPTGPR119P2RY14MMP13HDAC4
SCHEMBL30623037 0.78 NR1H2 (0.43) NR1H2NR1H3MAPTGPR119EIF2AK4
SCHEMBL29308625 0.78 CSNK1D (0.39) UGCGMMP13SETD7

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
Send feedback