SCHEMBL176078

SCHEMBL176078

CC(C)CNc1nc2ccccc2n2c(-c3ccc4c(c3)OCO4)cnc12.CC(C)CNc1nc2ccccc2n2c(-c3cnn(C)c3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
FLT3 P36888 4/20 0.43
KDM4E B2RXH2 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
HIF1A Q16665 2/20 0.38

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
SCHEMBL3722652 0.93 FLT3 (0.48) FYNFLT3KDM4ECYP1A2CYP3A4
SCHEMBL3720480 0.89 TTK (0.43) KMT2AMEN1TTK
SCHEMBL120525 0.88 TTK (0.42) FLT3KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL120398 0.77 TTK (0.52) KMT2ASMN1; SMN2MEN1HIF1ATTK
SCHEMBL121930 0.76 KMT2A (0.47) HPGDKMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL3728821 0.76 TTK (0.42) KMT2ATTK
SCHEMBL3811367 0.76 TTK (0.48) KMT2ATTK
SCHEMBL121918 0.75 FYN (0.51) FYNFLT3KDM4EALDH1A1GAA
SCHEMBL120513 0.75 KMT2A (0.46) KMT2AMEN1TTK
SCHEMBL3723252 0.75 TTK (0.44) FYNTP53KMT2ATTK

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-2424537-A1 SUBSTITUTED IMIDAZOQUINOXALINES Bayer Pharma Aktiengesellschaft (DE) 2012-03-07 EP claimed