SCHEMBL26644840

SCHEMBL26644840

CC1Cn2nc(-c3ccc4ccsc4c3)c(-c3ccncc3)c2CN1C(=O)/C=C/CN(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.31
▸ KRAS P01116 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL30622433 1.00 JAK3 (0.31) JAK3KRASBTKSIGMAR1
SCHEMBL26645769 0.86 EGFR (0.33) BTKSIGMAR1
SCHEMBL30622334 0.86 EGFR (0.33) BTKSIGMAR1
SCHEMBL26645478 0.85 GHSR (0.33) SIGMAR1
SCHEMBL26645784 0.84 MAPK11 (0.39) JAK3BTK
SCHEMBL26644893 0.84 MAPK11 (0.39) JAK3BTK
SCHEMBL30622431 0.81 GRM5 (0.36) JAK3
SCHEMBL30622350 0.81 GRM5 (0.36) JAK3
SCHEMBL26645013 0.81 GRM5 (0.36) JAK3
SCHEMBL26645803 0.81 GRM5 (0.36) JAK3

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
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO claimed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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