SCHEMBL30622815

SCHEMBL30622815

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 2/20 0.37
▸ CSNK1E P49674 2/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ GRIA1 P42261 1/20 0.36
▸ SETD7 Q8WTS6 2/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ SMO Q99835 1/20 0.35
▸ SLC34A1 Q06495 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ PDK2 Q15119 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
SCHEMBL30622940 1.00 CSNK1D (0.37) CSNK1DCSNK1ETGFBR1KCNK3HDAC1
SCHEMBL30622988 0.90 NR1H2 (0.39) SETD7SMO
SCHEMBL30622801 0.90 NR1H2 (0.39) SETD7SMO
SCHEMBL30622883 0.90 KCNK3 (0.42) KCNK3SETD7SMO
SCHEMBL30622953 0.90 KCNK3 (0.42) KCNK3SETD7SMO
SCHEMBL26645657 0.85 SMO (0.40) CSNK1DCSNK1EKCNK3GRM5SMO
SCHEMBL26645470 0.85 SMO (0.40) CSNK1DCSNK1EKCNK3GRM5SMO
SCHEMBL16711450 0.81 CSNK1E (0.52) CSNK1DCSNK1ETGFBR1HDAC1HDAC2
SCHEMBL17925729 0.80 HDAC1 (0.37) HDAC1HDAC2SETD7PDK2
SCHEMBL17936829 0.80 HDAC1 (0.37) HDAC1HDAC2SETD7PDK2

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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