SCHEMBL19987153

SCHEMBL19987153

O=S1(=O)CCC2(CC1)CN2c1ccn2ncc(-c3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 16/20 0.57
PIM2 Q9P1W9 13/20 0.57
FLT3 P36888 2/20 0.48
NTRK1 P04629 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PLAT P00750 1/20 0.35

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
SCHEMBL102493 0.84 PIM1 (0.62) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL102722 0.73 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL19987094 0.72 PIM1 (0.52) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL103371 0.72 PIM1 (0.58) PIM1PIM2FLT3KDM4EALDH1A1
SCHEMBL19987117 0.72 PIM1 (0.58) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL19986933 0.72 PIM1 (0.61) PIM1PIM2FLT3KDM4EALDH1A1
SCHEMBL8207947 0.72 PIM1 (0.61) PIM1PIM2FLT3NTRK1KDM4E
SCHEMBL19987012 0.66 PIM1 (0.82) PIM1PIM2FLT3
SCHEMBL18356465 0.66 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL102945 0.66 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