SCHEMBL26645223

SCHEMBL26645223

COc1ccc(-c2nn3c(c2I)CN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 2/20 0.46
▸ GPR119 Q8TDV5 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ STS P08842 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MMP1 P03956 4/20 0.42
▸ MMP3 P08254 4/20 0.42
▸ MMP7 P09237 4/20 0.42
▸ MMP9 P14780 4/20 0.42
▸ MMP8 P22894 3/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ MMP2 P08253 2/20 0.41

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
SCHEMBL16711450 0.88 CSNK1E (0.52) MEN1KMT2AMMP13CSNK1E
SCHEMBL26645635 0.86 MAPT (0.46) GPR119MAPTMMP13CSNK1E
SCHEMBL30623018 0.84 CSNK1E (0.44) GPR119STSCSNK1E
SCHEMBL26645586 0.84 CSNK1E (0.44) GPR119STSCSNK1E
SCHEMBL26645413 0.84 SUV39H2 (0.44) ALDH1A1MEN1KMT2AMAPTCSNK1E
SCHEMBL30622957 0.84 SUV39H2 (0.44) ALDH1A1MEN1KMT2AMAPTCSNK1E
SCHEMBL26645399 0.84 CSNK1E (0.46) ALDH1A1HTTGPR119KDM4EHPGD
SCHEMBL26645023 0.81 MERTK (0.43) ALDH1A1MEN1KMT2ACSNK1E
SCHEMBL26645364 0.81 CSNK1E (0.45) GPR119CSNK1E
SCHEMBL16711190 0.81 CSNK1E (0.55) CSNK1E

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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