SCHEMBL8207947

SCHEMBL8207947

Oc1ccn2ncc(-c3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.61
PIM2 Q9P1W9 9/20 0.61
FLT3 P36888 3/20 0.61
NTRK1 P04629 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TGFBR2 P37173 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL19986933 0.85 PIM1 (0.61) PIM1PIM2FLT3KDM4EALDH1A1
SCHEMBL19987117 0.85 PIM1 (0.58) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL103371 0.85 PIM1 (0.58) PIM1PIM2FLT3KDM4EALDH1A1
SCHEMBL13944161 0.80 PIM1 (0.59) PIM1PIM2FLT3TGFBR2NPC1
SCHEMBL102493 0.76 PIM1 (0.62) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL102628 0.76 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL19987118 0.76 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL102968 0.76 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL103291 0.76 PIM1 (0.63) PIM1PIM2FLT3NTRK1TGFBR2
SCHEMBL19987012 0.76 PIM1 (0.82) PIM1PIM2FLT3

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
EP-1019501-A1 NOVEL PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
WO-1998041526-A1 NOVEL PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-09-24 WO disclosed