SCHEMBL19987090

SCHEMBL19987090

CN(c1ccn2ncc(-c3cccc(C(F)(F)F)c3)c2n1)C1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.66
PIM2 Q9P1W9 8/20 0.63
FLT3 P36888 2/20 0.54
PIK3CD O00329 3/20 0.44
NTRK1 P04629 1/20 0.42
ACVR2A P27037 1/20 0.41
TGFBR1 P36897 1/20 0.41
TGFBR2 P37173 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL102215 0.80 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL19987117 0.78 PIM1 (0.58) PIM1PIM2FLT3NTRK1TGFBR2
SCHEMBL4594847 0.77 PIM1 (0.51) PIM1PIM2FLT3NTRK1TGFBR2
SCHEMBL4595601 0.76 PIM1 (0.49) PIM1PIM2FLT3NTRK1
SCHEMBL19986933 0.76 PIM1 (0.61) PIM1PIM2FLT3TGFBR2
SCHEMBL103371 0.73 PIM1 (0.58) PIM1PIM2FLT3TGFBR2
SCHEMBL8207947 0.73 PIM1 (0.61) PIM1PIM2FLT3NTRK1TGFBR2
SCHEMBL19987012 0.71 PIM1 (0.82) PIM1PIM2FLT3
SCHEMBL4336441 0.71 PIM1 (0.78) PIM1PIM2FLT3
SCHEMBL102968 0.70 PIM1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734205-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2018-03-21 EP disclosed