SCHEMBL21638663

SCHEMBL21638663

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.43
▸ IDH1 O75874 1/20 0.37
▸ GPER1 Q99527 1/20 0.36
▸ KIT P10721 2/20 0.36
▸ NAMPT P43490 3/20 0.36
▸ CREBBP Q92793 1/20 0.34
▸ PIK3CA P42336 3/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL21638718 0.92 BRD4 (0.44) BRD4IDH1GPER1KITNAMPT
SCHEMBL21638731 0.89 BRD4 (0.42) BRD4KITPIK3CA
SCHEMBL21638700 0.86 BRD4 (0.51) BRD4IDH1GPER1
SCHEMBL16721676 0.86 BRD4 (0.49) BRD4IDH1GPER1NAMPTCREBBP
SCHEMBL21638456 0.85 BRD4 (0.49) BRD4IDH1GPER1KITNAMPT
SCHEMBL16722015 0.84 BRD4 (0.57) BRD4IDH1GPER1NAMPTCREBBP
SCHEMBL16722013 0.84 BRD4 (0.57) BRD4IDH1GPER1NAMPTCREBBP
SCHEMBL21638606 0.84 BRD4 (0.60) BRD4KITCREBBP
SCHEMBL21638596 0.83 BRD4 (0.43) BRD4IDH1GPER1NAMPTPIK3CA
SCHEMBL21638625 0.83 BRD4 (0.45) BRD4IDH1GPER1KITNAMPT

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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