SCHEMBL29418394

SCHEMBL29418394

Cc1cc(-c2ccncc2C2CCN(C(=O)OC(C)(C)C)CC2)ccc1CNC(=O)c1noc(C(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.48
▸ LCK P06239 1/20 0.45
▸ GPR119 Q8TDV5 5/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ NAMPT P43490 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL25269700 1.00 BTK (0.48) BTKLCKGPR119HDAC4NAMPT
SCHEMBL25267864 0.89 BTK (0.49) BTKLCK
SCHEMBL29418369 0.89 BTK (0.49) BTKLCK
SCHEMBL29418480 0.88 BTK (0.48) BTKLCKGPR119HDAC4NAMPT
SCHEMBL25214221 0.88 BTK (0.48) BTKLCKGPR119HDAC4NAMPT
SCHEMBL30599726 0.86 BTK (0.48) BTKLCK
SCHEMBL29124651 0.86 BTK (0.48) BTKLCK
Hydrochloric Acid SCHEMBL25246453 0.85 BTK (0.53) BTKLCK
Hydrochloric Acid SCHEMBL29418446 0.85 BTK (0.53) BTKLCK
SCHEMBL29124828 0.83 BTK (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 — — WO disclosed
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