SCHEMBL15434600

SCHEMBL15434600

CC1=CC(Nc2nc(C(=O)c3ccc(F)cc3)nc3cc(O)ccc23)=N1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.44
AURKB Q96GD4 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
ESR1 P03372 5/20 0.38
CSNK2A1 P68400 3/20 0.37
NQO2 P16083 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
CTNNB1 P35222 3/20 0.35
TCF7L2 Q9NQB0 3/20 0.35

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
SCHEMBL175016 0.80 AURKA (0.69) AURKAAURKB
SCHEMBL10224892 0.76 AURKA (0.38) AURKAAURKBKDM4EMAPTESR1
SCHEMBL255869 0.74 AURKA (0.37) AURKAAURKBKDM4EMAPTESR1
SCHEMBL174414 0.72 AURKA (0.73) AURKAAURKB
SCHEMBL164593 0.70 GRM2 (0.47) AURKAKDM4EESR1MEN1KMT2A
SCHEMBL173218 0.70 AURKA (0.76) AURKAAURKB
SCHEMBL174779 0.69 AURKA (0.68) AURKAAURKB
SCHEMBL174492 0.68 AURKA (0.78) AURKAAURKBNQO2
SCHEMBL255856 0.68 AURKA (0.66) AURKAAURKB
SCHEMBL174917 0.67 AURKA (0.61) AURKAAURKBKDM4EMAPTCSNK2A1

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
EP-2401267-B1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND THEIR USE IN METHODS AMBIT BIOSCIENCES CORP (US) 2014-01-15 EP disclosed