SCHEMBL21638490

SCHEMBL21638490

CC(C)CC(=O)N1c2ccc(-c3cnn(CCC#N)c3)cc2N(C(=O)O)C[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.46
▸ KDM5A P29375 2/20 0.37
▸ NAMPT P43490 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ JAK2 O60674 3/20 0.33
▸ TYK2 P29597 3/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ RET P07949 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
SCHEMBL16722665 0.90 BRD4 (0.46) BRD4KDM5AALDH1A1USP30JAK2
SCHEMBL21638456 0.90 BRD4 (0.49) BRD4NAMPT
SCHEMBL21638680 0.89 BRD4 (0.48) BRD4NAMPT
SCHEMBL16721741 0.89 BRD4 (0.54) BRD4KDM5AALDH1A1JAK2TYK2
SCHEMBL16722352 0.89 BRD4 (0.54) BRD4KDM5AALDH1A1JAK2TYK2
SCHEMBL21638712 0.87 BRD4 (0.47) BRD4NAMPTUSP30CTSKCTSC
SCHEMBL21638620 0.86 BRD4 (0.46) BRD4NAMPT
SCHEMBL21638725 0.86 BRD4 (0.45) BRD4NAMPT
SCHEMBL21638495 0.85 BRD4 (0.41) BRD4ALDH1A1USP30JAK2TYK2
SCHEMBL21638678 0.85 BRD4 (0.48) BRD4NAMPTCTSKCTSC

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 claimed
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