SCHEMBL29124856

SCHEMBL29124856

Cc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2[c]cncc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.45
▸ LCK P06239 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 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
SCHEMBL29124708 0.84 BTK (0.47) BTKLCK
SCHEMBL29124814 0.82 BTK (0.46) BTKLCKSMN1; SMN2
SCHEMBL22659710 0.73 BTK (0.53) BTKLCK
SCHEMBL29533826 0.73 BTK (0.53) BTKLCK
Hydrochloric Acid SCHEMBL25224200 0.73 BTK (0.43) BTKLCK
Hydrochloric Acid SCHEMBL29418328 0.73 BTK (0.43) BTKLCK
SCHEMBL25219900 0.73 BTK (0.43) BTKLCKKMT2A
SCHEMBL25214645 0.72 BTK (0.42) BTKLCK
SCHEMBL29124731 0.71 BTK (0.42) BTKLCK
SCHEMBL23303742 0.71 BTK (0.55) BTKLCK

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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