SCHEMBL25837804

SCHEMBL25837804

Cn1ccc(-c2cc(N3CC(F)(F)C(F)(F)C3)ncc2C2CCNC2)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.36
▸ RET P07949 2/20 0.35
▸ IRAK1 P51617 2/20 0.35
▸ MAPK10 P53779 3/20 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
Hydrochloric Acid SCHEMBL25255115 0.99 IRAK4 (0.35) IRAK4RETIRAK1MAPK10
SCHEMBL26193347 0.86 JMJD6 (0.37) IRAK4RETIRAK1MAPK10
SCHEMBL25302195 0.85 RET (0.35) IRAK4RETIRAK1MAPK10
Trifluoroacetic Acid SCHEMBL30509971 0.81 CCR4 (0.35) IRAK4RET
SCHEMBL25838021 0.80 IRAK4 (0.40) IRAK4IRAK1
Hydrochloric Acid SCHEMBL25299144 0.79 IRAK4 (0.39) IRAK4IRAK1
SCHEMBL25258733 0.79 IRAK4 (0.35) IRAK4IRAK1
SCHEMBL25294718 0.78 JMJD6 (0.38) RET
SCHEMBL25296155 0.75 BTK (0.44) RET
SCHEMBL30561773 0.75 BTK (0.44) RET

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
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 — — WO disclosed
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 — — WO disclosed
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