SCHEMBL22600170

SCHEMBL22600170

Cn1cc(N)c2cn[nH]c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.40
METAP2 P50579 9/20 0.37
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL15069186 0.79 BRD4 (0.37) BRD4METAP2ALDH1A1KDM4EHPGD
SCHEMBL22600407 0.76 HSP90AA1 (0.36) BRD4METAP2ALDH1A1KDM4EHPGD
SCHEMBL25300623 0.72 BRD4 (0.51) BRD4METAP2
SCHEMBL22600098 0.71 BRD4 (0.58) BRD4
SCHEMBL31590048 0.70 BRD4 (0.50) BRD4METAP2
SCHEMBL31590019 0.68 KMT2A (0.49) BRD4METAP2MAPT
SCHEMBL21227712 0.68 BRD4 (0.59) BRD4ALDH1A1KDM4EHPGD
SCHEMBL31590022 0.68 BRD4 (0.43) BRD4METAP2
SCHEMBL21227677 0.67 KDM4E (0.41) BRD4METAP2MAPTKDM4E
SCHEMBL28495832 0.67 METAP2 (0.37) BRD4METAP2ALDH1A1

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-3958867-B1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-06-26 EP disclosed
WO-2020219168-A1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE, LLC (US) 2020-10-29 WO disclosed