SCHEMBL19723217

SCHEMBL19723217

O=Cc1cccn(Cc2ccccc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.54
▸ BRD2 P25440 1/20 0.54
▸ BRD3 Q15059 1/20 0.54
▸ BRDT Q58F21 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ KDM4E B2RXH2 4/20 0.47
▸ HDAC3 O15379 3/20 0.47
▸ HDAC4 P56524 3/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC7 Q8WUI4 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC10 Q969S8 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC9 Q9UKV0 3/20 0.47
▸ HDAC5 Q9UQL6 3/20 0.47
▸ HTT P42858 2/20 0.47

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
SCHEMBL13020361 0.85 HDAC3 (0.64) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL13332848 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKDM4EHDAC3HDAC4
SCHEMBL4540682 0.79 PDPK1 (0.45) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL4619122 0.77 HDAC3 (0.40) BRD4SMN1; SMN2KDM4EHDAC3HDAC4
SCHEMBL29001250 0.77 LMNA (0.58) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL1244152 0.77 ALDH1A1 (0.55) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL15804049 0.77 BRD4 (0.54) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL13020396 0.75 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL272388 0.75 EGLN1 (0.75) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL16899407 0.75 MAPK14 (0.53) BRD4BRD2BRD3BRDTSMN1; SMN2

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-3436461-B1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORP (US) 2023-11-01 — — EP disclosed
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
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