SCHEMBL25826079

SCHEMBL25826079

C=CCN1CCC(c2cnc(C3CCC(F)(F)C3)cc2-c2ccn(C)n2)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ IRAK1 P51617 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL25259860 0.83 BTK (0.44) BRD4CREBBP
SCHEMBL25376670 0.83 BTK (0.44) BRD4CREBBP
SCHEMBL26193402 0.82 JMJD6 (0.36) BRD4CREBBPIRAK4IRAK1
SCHEMBL25299111 0.81 BRD4 (0.38) BRD4CREBBPDYRK1A
SCHEMBL25377645 0.78 BTK (0.45) BRD4CREBBP
SCHEMBL30561751 0.78 BTK (0.45) BRD4CREBBP
SCHEMBL25377637 0.78 BTK (0.45) BRD4CREBBP
SCHEMBL25258733 0.78 IRAK4 (0.35) BRD4CREBBPIRAK4IRAK1
SCHEMBL25263611 0.77 IDH1 (0.39) —
Trifluoroacetic Acid SCHEMBL30510178 0.71 BRD4 (0.33) BRD4CREBBPIRAK4IRAK1DYRK1A

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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