SCHEMBL21638731

SCHEMBL21638731

C[C@H]1CN(C(=O)O)c2cc(-c3cnn(CC(C)(C)O)c3)ccc2N1C(=O)CC1CC(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.42
▸ TTK P33981 9/20 0.38
▸ KIT P10721 4/20 0.37
▸ ABL1 P00519 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CG P48736 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
SCHEMBL21638698 0.92 BRD4 (0.43) BRD4TTKKITABL1PIK3CA
SCHEMBL21638663 0.89 BRD4 (0.43) BRD4KITPIK3CA
SCHEMBL16721136 0.86 BRD4 (0.48) BRD4TTKKITPIK3CA
SCHEMBL21638444 0.86 BRD4 (0.47) BRD4TTKKITPIK3CA
SCHEMBL21674541 0.86 BRD4 (0.49) BRD4TTKKITABL1
SCHEMBL16722220 0.84 BRD4 (0.55) BRD4TTKKITPIK3CA
SCHEMBL16721515 0.84 BRD4 (0.55) BRD4TTKKITPIK3CA
SCHEMBL21638700 0.84 BRD4 (0.51) BRD4PIK3CD
SCHEMBL21638653 0.83 BRD4 (0.46) BRD4TTKKITPIK3CA
SCHEMBL16722521 0.83 BRD4 (0.54) BRD4TTKKITPIK3CA

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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