SCHEMBL21837186

SCHEMBL21837186

C=CC(=O)N1CCc2c(cccc2-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@@H](C(F)(F)F)C4)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00

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
SCHEMBL19279558 1.00 BTK (1.00) BTK
SCHEMBL21837182 1.00 BTK (1.00) BTK
SCHEMBL19690239 0.93 BTK (1.00) BTK
SCHEMBL19279328 0.93 BTK (1.00) BTK
SCHEMBL24191693 0.85 BTK (0.78) BTK
SCHEMBL24192297 0.85 BTK (0.78) BTK
SCHEMBL19690340 0.84 BTK (0.85) BTK
SCHEMBL19690339 0.84 BTK (0.85) BTK
SCHEMBL19690375 0.83 BTK (0.82) BTK
SCHEMBL19690374 0.83 BTK (0.82) BTK

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-3209652-B1 TRICYCLIC ATROPISOMER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-15 EP claimed
EP-3209652-B1 TRICYCLIC ATROPISOMER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-15 EP disclosed