SCHEMBL30599711

SCHEMBL30599711

CC=CN1CCC[C@H](c2cnccc2-c2ccc(CNC(=O)c3nc(C4(C)CC4)no3)c(C)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.45
▸ LCK P06239 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL30599732 1.00 BTK (0.45) BTKLCKMAPTROCK2DGAT2
SCHEMBL30599745 1.00 BTK (0.45) BTKLCKMAPTROCK2DGAT2
SCHEMBL29124767 1.00 BTK (0.45) BTKLCKMAPTROCK2DGAT2
SCHEMBL29124746 1.00 BTK (0.45) BTKLCKMAPTROCK2DGAT2
SCHEMBL29124691 1.00 BTK (0.45) BTKLCKMAPTROCK2DGAT2
SCHEMBL25217477 0.89 BTK (0.45) BTK
SCHEMBL29418335 0.89 BTK (0.45) BTK
SCHEMBL29418368 0.89 BTK (0.45) BTK
SCHEMBL25241812 0.89 BTK (0.45) BTK
SCHEMBL29418572 0.89 BTK (0.45) BTK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 — — CN disclosed
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