SCHEMBL19806060

SCHEMBL19806060

CSc1nc(-c2ccn(Cc3cccc(C#N)c3)c2)cc(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 7/20 0.52
▸ CYP11B1 P15538 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ADORA2A P29274 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL19806077 0.85 SDHB (0.50) SDHBCYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL19806064 0.84 SDHB (0.73) SDHBL3MBTL1CREBBP
SCHEMBL20985643 0.83 SDHB (0.51) SDHBL3MBTL1ADORA2AALDH1A1KDM4E
SCHEMBL29976331 0.83 SDHB (0.51) SDHBL3MBTL1ADORA2AALDH1A1KDM4E
SCHEMBL19805896 0.83 SDHB (0.51) SDHBCYP11B1CYP19A1CYP11B2L3MBTL1
SCHEMBL29976054 0.83 SDHB (0.75) SDHBALDH1A1KDM4EMEN1HPGD
SCHEMBL19805894 0.83 SDHB (0.75) SDHBALDH1A1KDM4EMEN1HPGD
SCHEMBL19805806 0.81 SDHB (0.47) SDHBADORA2AALDH1A1KDM4EMEN1
SCHEMBL19805940 0.80 MEN1 (0.45) SDHBL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL22912257 0.78 SDHB (0.49) SDHBALDH1A1KDM4EMEN1CYP1A2

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-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — WO disclosed
Send feedback