Sugi Predict

Sugi Predict / Compounds / SCHEMBL8304540

SCHEMBL8304540

SCHEMBL8304540

CN1C(=O)c2cccnc2N(CC2CC2)c2ncccc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.55
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL8299587 0.82 CYP3A4 (0.52) BRD4CYP3A4CYP2C9CYP2C19
SCHEMBL8299628 0.81 BRD4 (0.45) BRD4CYP3A4CYP2C9CYP2C19
SCHEMBL8300613 0.78 BRD4 (0.60) BRD4
SCHEMBL8789567 0.76 BRD4 (0.46) BRD4CYP3A4CYP2C9CYP2C19
SCHEMBL9375685 0.76 DRD2 (0.49) BRD4CYP3A4CYP2C9CYP2C19
SCHEMBL8790016 0.75 BRD4 (0.47) BRD4
SCHEMBL8790761 0.74 TTR (0.50) BRD4
SCHEMBL8791355 0.74 ALDH1A1 (0.48) BRD4
SCHEMBL8790036 0.74 BRD4 (0.45) BRD4
SCHEMBL12427418 0.74 ALDH1A1 (0.51) BRD4

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-0429987-B1 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1999-03-17 — — EP claimed
EP-0429987-B1 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1999-03-17 — — EP disclosed