SCHEMBL21638519

SCHEMBL21638519

CCNC(=O)Cn1cc(-c2ccc3c(c2)N(C(=O)O)C[C@H](C)N3C(=O)CC(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.46
▸ PDK2 Q15119 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ PRKAB2 O43741 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ LYN P07948 2/20 0.34
▸ PRKAG1 P54619 2/20 0.34
▸ SIK1 P57059 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ SIK2 Q9H0K1 2/20 0.34
▸ SIK3 Q9Y2K2 2/20 0.34
▸ PAICS P22234 2/20 0.33
▸ KHK P50053 1/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ KCNJ6 P48051 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 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
SCHEMBL21638695 0.91 BRD4 (0.47) BRD4NAMPT
SCHEMBL16722087 0.89 BRD4 (0.54) BRD4PDK2
SCHEMBL21638707 0.86 BRD4 (0.46) BRD4NAMPTPAICSKHK
SCHEMBL21638456 0.86 BRD4 (0.49) BRD4NAMPT
SCHEMBL21638680 0.85 BRD4 (0.48) BRD4NAMPT
SCHEMBL21638678 0.85 BRD4 (0.48) BRD4NAMPT
SCHEMBL21638444 0.84 BRD4 (0.47) BRD4
SCHEMBL21638689 0.84 BRD4 (0.47) BRD4NAMPTGSK3BDYRK1A
SCHEMBL21638712 0.84 BRD4 (0.47) BRD4NAMPTPRKAB2ABL1CSF1R
SCHEMBL21638620 0.83 BRD4 (0.46) BRD4NAMPTWNT1GSK3BDYRK1A

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 2 patents. 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
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 — — EP disclosed
Send feedback