SCHEMBL5329409

SCHEMBL5329409

Cc1cnn2c(C3CCCCC3)c(-c3c(F)cc(F)cc3F)c(Cl)nc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
PDE2A O00408 1/20 0.30

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
SCHEMBL5325823 0.84 CDK2 (0.40) KDM4EHTT
SCHEMBL5323120 0.80 TP53 (0.33) KDM4E
SCHEMBL973762 0.77 PDE2A (0.41) PDE2A
SCHEMBL5326148 0.76 CDK2 (0.43) KDM4EHTTPDE2A
SCHEMBL14463738 0.74 CDK2 (0.34)
SCHEMBL5320632 0.71 CDK2 (0.41) KDM4EHTT
SCHEMBL4811909 0.70 PDE2A (0.43) KDM4EPDE2A
SCHEMBL13920303 0.70 PDE2A (0.43) KDM4EPDE2A
SCHEMBL13920314 0.70 PDE2A (0.43) KDM4EPDE2A
SCHEMBL5323444 0.70 CDK2 (0.40) KDM4E

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-2007118844-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING HARMFUL FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-10-25 WO disclosed