SCHEMBL3713879

SCHEMBL3713879

OC1CCN(c2ccnc3c(-c4cccc(C(F)(F)F)c4)cnn23)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.52
PIM2 Q9P1W9 4/20 0.52
FLT3 P36888 2/20 0.52
BRAF P15056 8/20 0.46
KDM4E B2RXH2 2/20 0.45
KCNH2 Q12809 1/20 0.44
IDH2 P48735 1/20 0.42
PLAT P00750 1/20 0.41

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
SCHEMBL7903572 0.78 KDM4E (0.56) PIM1PIM2FLT3BRAFKDM4E
SCHEMBL3712048 0.71 CYP46A1 (0.44)
SCHEMBL102968 0.68 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL19987118 0.68 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL102628 0.68 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL3703519 0.67 MAPK14 (0.46) PIM1PIM2BRAFKDM4E
SCHEMBL4656055 0.66 BRAF (0.88) BRAF
SCHEMBL30443378 0.66 PIM1 (0.61) PIM1PIM2FLT3BRAFKCNH2
SCHEMBL1923914 0.66 MAPT (0.59) BRAFKDM4E
SCHEMBL3706398 0.65 KDM4E (0.45) BRAFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed