SCHEMBL28666834

SCHEMBL28666834

CC(C)(C)c1noc(C(=O)O)n1.NC(=O)c1ccc(-c2ccnc(N)c2N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.42
▸ LCK P06239 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ GPR52 Q9Y2T5 1/20 0.35
▸ ACVR1 Q04771 1/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ MTOR P42345 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
SCHEMBL19876271 0.83 BTK (0.57) BTKLCKKCNH2
SCHEMBL17670764 0.81 MAPK1 (0.45) BTKMAPK1GPR52ACVR1MTOR
SCHEMBL17645776 0.78 BTK (0.67) BTKLCK
SCHEMBL30950500 0.78 BTK (0.67) BTKLCK
SCHEMBL19876266 0.73 BTK (0.56) BTKLCKKCNH2
SCHEMBL19876208 0.73 BTK (0.54) BTKLCKKCNH2
SCHEMBL30950434 0.71 BTK (0.56) BTKLCK
SCHEMBL30950558 0.71 BTK (0.54) BTKLCK
SCHEMBL19876284 0.70 BTK (0.62) BTKKCNH2
SCHEMBL19876240 0.70 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641892-B 2-oxo-imidazopyridines as reversible BTK inhibitors and uses thereof 默克专利有限公司 2021-07-02 — — CN disclosed
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