SCHEMBL21638712

SCHEMBL21638712

COCCn1cc(-c2ccc3c(c2)N(C(=O)O)C[C@H](C)N3C(=O)CC(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.47
▸ USP30 Q70CQ3 1/20 0.41
▸ IDH1 O75874 1/20 0.40
▸ PRKAB2 O43741 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ TGFBR2 P37173 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ SIK1 P57059 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ SIK2 Q9H0K1 1/20 0.38
▸ SIK3 Q9Y2K2 1/20 0.38
▸ TTK P33981 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ LIPC P11150 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ MAPK1 P28482 2/20 0.36

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
SCHEMBL21638456 0.90 BRD4 (0.49) BRD4IDH1KITNAMPT
SCHEMBL16722502 0.90 BRD4 (0.47) BRD4USP30IDH1PRKAB2ABL1
SCHEMBL21638680 0.90 BRD4 (0.48) BRD4IDH1NAMPT
SCHEMBL16722032 0.88 BRD4 (0.55) BRD4USP30IDH1PRKAB2ABL1
SCHEMBL21638490 0.87 BRD4 (0.46) BRD4USP30NAMPTCTSKCTSC
SCHEMBL21638620 0.87 BRD4 (0.46) BRD4LIPCLIPGNAMPT
SCHEMBL16721523 0.87 BRD4 (0.53) BRD4USP30IDH1PRKAB2ABL1
SCHEMBL21638725 0.86 BRD4 (0.45) BRD4IDH1NAMPT
SCHEMBL21638678 0.86 BRD4 (0.48) BRD4IDH1NAMPTTBK1CTSK
SCHEMBL21638695 0.85 BRD4 (0.47) BRD4NAMPT

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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