SCHEMBL14014241

SCHEMBL14014241

COc1ccccc1-c1cc(-c2ccccc2Cl)n2nc(C(=O)O)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 3/20 0.52
MAPT P10636 5/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
MARS1 P56192 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
FABP3 P05413 3/20 0.44
SNCA P37840 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL14014240 0.89 KDM4E (0.61) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014334 0.87 KDM4E (0.59) KDM4EALDH1A1TP53MAPTCYP3A4
SCHEMBL14014324 0.86 KDM4E (0.66) KDM4EALDH1A1TP53MAPTCYP3A4
SCHEMBL14014333 0.85 KDM4E (0.57) KDM4EALDH1A1TP53MAPTCYP3A4
SCHEMBL14014251 0.85 KDM4E (0.69) KDM4EALDH1A1TP53MAPTCYP3A4
SCHEMBL14014190 0.85 KDM4E (0.59) KDM4EALDH1A1TP53MAPTCYP3A4
SCHEMBL14014095 0.84 KDM4E (0.74) KDM4EALDH1A1TP53MAPTCYP3A4
SCHEMBL14014239 0.83 KDM4E (0.57) KDM4EALDH1A1TP53MAPTCYP3A4
SCHEMBL14014245 0.83 KDM4E (0.57) KDM4EALDH1A1TP53MAPTCYP3A4
SCHEMBL14014204 0.82 KDM4E (0.54) KDM4EALDH1A1KMT2AMEN1MARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed