SCHEMBL13375232

SCHEMBL13375232

O=C(Nc1c[nH]nc1-c1nc2cc(F)c(CCO)cc2[nH]1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.39
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
PARP1 P09874 2/20 0.35
APAF1 O14727 1/20 0.35
DHODH Q02127 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
FOXO1 Q12778 1/20 0.35
BRD4 O60885 1/20 0.35
DGAT1 O75907 1/20 0.35
KMT2A Q03164 2/20 0.34
CHEK1 O14757 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL13375051 0.94 TUBB4A (0.40) PDPK1JAK2TYK2CLK2CLK3
SCHEMBL13375042 0.89 PDPK1 (0.39) PDPK1JAK2TYK2CLK2CLK3
SCHEMBL6684006 0.85 PDPK1 (0.43) PDPK1JAK2TYK2CLK2CLK3
SCHEMBL13375123 0.83 PDPK1 (0.46) PDPK1JAK2TYK2CLK2CLK3
SCHEMBL13373930 0.83 SYK (0.47) PDPK1JAK2TYK2PARP1APAF1
SCHEMBL13375136 0.82 KMT2A (0.37) KDM4EALDH1A1HPGDKMT2ACHEK1
SCHEMBL13375137 0.82 SYK (0.49) DHODHKDM4EHPGDCHEK1RAB9A
SCHEMBL13374055 0.82 JAK2 (0.46) PDPK1JAK2TYK2CLK2CLK3
SCHEMBL13375252 0.81 AURKA (0.36) PDPK1KDM4EALDH1A1HPGDKMT2A
SCHEMBL13373895 0.81 PDPK1 (0.45) PDPK1JAK2TYK2CLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed