SCHEMBL30622787

SCHEMBL30622787

Cc1c[nH]c2nccc(-c3c(Br)nn4c3CN(C(=O)OC(C)(C)C)CC4)c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.40
▸ CDK9 P50750 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ JAK3 P52333 2/20 0.35
▸ CCNK O75909 2/20 0.34
▸ CDK12 Q9NYV4 2/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ F12 P00748 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ LIMK2 P53671 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
SCHEMBL26645177 1.00 BTK (0.40) BTKCDK9CCNT1JAK3CCNK
SCHEMBL26645508 0.91 CDK9 (0.39) BTKCDK9CCNT1CCNKCDK12
SCHEMBL30622918 0.91 CDK9 (0.39) BTKCDK9CCNT1CCNKCDK12
SCHEMBL30622795 0.85 CSNK1E (0.42) BTKCDK9CCNT1ALK
SCHEMBL26645523 0.85 CSNK1E (0.42) BTKCDK9CCNT1ALK
SCHEMBL30623067 0.85 JAK1 (0.43) JAK3CCNKCDK12MAPK1KIT
SCHEMBL26645007 0.85 JAK1 (0.43) JAK3CCNKCDK12MAPK1KIT
SCHEMBL30622762 0.84 LIMK2 (0.36) BTKJAK3CCNKCDK12HTR2A
SCHEMBL30623059 0.82 JAK1 (0.43) BTKCDK9JAK3CCNKGPR119
SCHEMBL26645701 0.82 JAK1 (0.43) BTKCDK9JAK3CCNKGPR119

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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