SCHEMBL21674541

SCHEMBL21674541

C=C(CC1CC(F)(F)C1)N1CC(C)N(C(C)=O)c2ccc(-c3cnn(CC(C)(C)O)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.49
▸ KIT P10721 2/20 0.38
▸ TTK P33981 7/20 0.38
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL21638731 0.86 BRD4 (0.42) BRD4KITTTKABL1
SCHEMBL16721686 0.85 BRD4 (0.49) BRD4KITTTKABL1
SCHEMBL16721688 0.85 BRD4 (0.49) BRD4KITTTKABL1
SCHEMBL16721515 0.83 BRD4 (0.55) BRD4KITTTK
SCHEMBL16722220 0.83 BRD4 (0.55) BRD4KITTTK
SCHEMBL16722470 0.82 BRD4 (0.69) BRD4KITTTK
SCHEMBL16722029 0.81 BRD4 (0.50) BRD4TTKABL1
SCHEMBL16722030 0.81 BRD4 (0.50) BRD4TTKABL1
SCHEMBL17018122 0.80 BRD4 (0.60) BRD4TTK
SCHEMBL21638698 0.78 BRD4 (0.43) BRD4KITTTKABL1

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
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 — — EP disclosed
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