SCHEMBL14624979

SCHEMBL14624979

C=C(O)c1c[nH]c2c(=O)[nH]c3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.44
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIM3 Q86V86 2/20 0.43
PIM1 P11309 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
IDE P14735 1/20 0.42
MPI P34949 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
PARP1 P09874 2/20 0.42
TNKS O95271 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
GPR3 P46089 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL14624992 0.87 PIM3 (0.48) CHEK1KDM4ETDP1PIM3PIM1
SCHEMBL3247782 0.87 KDM4E (0.54) CHEK1KDM4ETDP1PIM3PIM1
SCHEMBL14624980 0.83 CHEK1 (0.40) CHEK1KDM4ETDP1PIM3PIM1
SCHEMBL14624981 0.83 CHEK1 (0.40) CHEK1KDM4EPIM3PIM1MAPT
SCHEMBL3245579 0.83 KDM4E (0.44) CHEK1KDM4ETDP1PIM3PIM1
SCHEMBL3243045 0.82 PIM3 (0.59) CHEK1KDM4ETDP1PIM3PIM1
SCHEMBL3251592 0.82 PBRM1 (0.55) CHEK1KDM4ETDP1PIM3PIM1
SCHEMBL14624971 0.82 MEN1 (0.47) CHEK1KDM4EMAPTALDH1A1MEN1
SCHEMBL14623789 0.81 ALDH1A1 (0.40) CHEK1KDM4ETDP1PIM3PIM1
SCHEMBL3249869 0.80 CFTR (0.60) MEN1KMT2ACCNA2CDK2

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
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed