SCHEMBL21638629

SCHEMBL21638629

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.42
▸ GPER1 Q99527 3/20 0.41
▸ KHK P50053 1/20 0.37
▸ NAMPT P43490 3/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ PDK2 Q15119 4/20 0.35
▸ FGFR3 P22607 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
SCHEMBL21638596 0.95 BRD4 (0.43) BRD4GPER1KHKNAMPTPIK3CA
SCHEMBL21638714 0.86 BRD4 (0.53) BRD4GPER1KHKIDH1FGFR3
SCHEMBL16721676 0.86 BRD4 (0.49) BRD4GPER1NAMPTPIK3CAIDH1
SCHEMBL16721882 0.84 BRD4 (0.54) BRD4GPER1
SCHEMBL21638521 0.84 BRD4 (0.44) BRD4GPER1NAMPTIDH1
SCHEMBL21638620 0.84 BRD4 (0.46) BRD4GPER1NAMPT
SCHEMBL16722015 0.84 BRD4 (0.57) BRD4GPER1NAMPTPIK3CAIDH1
SCHEMBL16722013 0.84 BRD4 (0.57) BRD4GPER1NAMPTPIK3CAIDH1
SCHEMBL21638676 0.84 BRD4 (0.60) BRD4GPER1FGFR3
SCHEMBL21638456 0.84 BRD4 (0.49) BRD4GPER1NAMPTPIK3CAIDH1

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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