SCHEMBL7903572

SCHEMBL7903572

Oc1ccnc2c(-c3cccc(C(F)(F)F)c3)cnn12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
BRAF P15056 14/20 0.51
CYP17A1 P05093 1/20 0.46
PIM1 P11309 1/20 0.45
FLT3 P36888 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
RAF1 P04049 1/20 0.44
MAPK14 Q16539 1/20 0.44
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 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
SCHEMBL11776811 0.80 TLR8 (0.51) KDM4ECYP17A1
SCHEMBL3713879 0.78 PIM1 (0.52) KDM4EBRAFPIM1FLT3PIM2
SCHEMBL3703519 0.75 MAPK14 (0.46) KDM4EBRAFCYP17A1PIM1PIM2
SCHEMBL8992995 0.74 GPR119 (0.47)
SCHEMBL4656055 0.74 BRAF (0.88) BRAFRAF1MAPK14
SCHEMBL3706398 0.73 KDM4E (0.45) KDM4EBRAF
SCHEMBL20137287 0.73 NPC1 (0.43) KDM4E
SCHEMBL3164198 0.72 KDM4E (0.69) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL8207947 0.72 PIM1 (0.61) KDM4EPIM1FLT3PIM2
SCHEMBL3155574 0.72 KDM4E (0.69) KDM4EBRAFCYP17A1RAF1MAPK14

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
US-6197774-B1 THERAPY FOR ASTHMA, SKIN DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed