SCHEMBL21638596

SCHEMBL21638596

C[C@H]1CN(C(=O)O)c2cc(-c3cnn(CCO)c3)ccc2N1C(=O)CCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.43
▸ GPER1 Q99527 3/20 0.42
▸ KHK P50053 1/20 0.40
▸ PIK3CA P42336 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ PDK2 Q15119 4/20 0.36
▸ FGFR3 P22607 1/20 0.35
▸ NAMPT P43490 2/20 0.35

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
SCHEMBL21638629 0.95 BRD4 (0.42) BRD4GPER1KHKPIK3CAIDH1
SCHEMBL16721676 0.87 BRD4 (0.49) BRD4GPER1PIK3CAIDH1NAMPT
SCHEMBL16721882 0.86 BRD4 (0.54) BRD4GPER1
SCHEMBL21638521 0.85 BRD4 (0.44) BRD4GPER1IDH1NAMPT
SCHEMBL21638620 0.85 BRD4 (0.46) BRD4GPER1NAMPT
SCHEMBL16722015 0.85 BRD4 (0.57) BRD4GPER1PIK3CAIDH1NAMPT
SCHEMBL16722013 0.85 BRD4 (0.57) BRD4GPER1PIK3CAIDH1NAMPT
SCHEMBL21638615 0.85 BRD4 (0.55) BRD4GPER1KHKFGFR3
SCHEMBL21638456 0.85 BRD4 (0.49) BRD4GPER1PIK3CAIDH1NAMPT
SCHEMBL21638625 0.84 BRD4 (0.45) BRD4GPER1PIK3CAIDH1NAMPT

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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