SCHEMBL9211024

SCHEMBL9211024

COc1cc(C(=O)N(C(C)C)C2CCCCC2)ccc1Cn1cnc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
CSF1R P07333 13/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL9275055 0.87 HDAC6 (0.38) TP53CYP1A2CYP3A4GAACYP2C9
SCHEMBL9212851 0.85 POLB (0.41) TP53GAAHDAC6MAPTTSHR
SCHEMBL9396759 0.85 PDE4D (0.41) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL9213233 0.84 LMNA (0.43) TP53MAPT
SCHEMBL9209661 0.83 CSF1R (0.47) MEN1TP53PABPC1KMT2ACSF1R
SCHEMBL9217077 0.83 LMNA (0.42) TP53CYP1A2CYP3A4GAACYP2C9
SCHEMBL9206565 0.83 LMNA (0.42) TP53MAPTTSHR
SCHEMBL9216560 0.80 AKT1 (0.46) MEN1TP53KMT2ACYP1A2GAA
SCHEMBL9396741 0.80 TSHR (0.37) TP53CYP1A2CYP3A4GAACYP2C9
SCHEMBL8885442 0.80 CYP1A2 (0.42) MEN1TP53KMT2ACYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670838-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO 4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1995-09-13 EP claimed
WO-1994012500-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO[4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1994-06-09 WO claimed
EP-0670838-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO 4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1995-09-13 EP disclosed
US-5359073-A Substituted-phenyl (N,N'-cycloalkyl/alkyl carboxamide)-1H/3H-imidazo[4,5-b]pyridine compounds as PAF antagonists G. D. SEARLE & CO. (US) 1994-10-25 US disclosed
WO-1994012500-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO[4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1994-06-09 WO disclosed