SCHEMBL19987138

SCHEMBL19987138

[O-][S+]1CCC(CNc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 19/20 0.77
PIM2 Q9P1W9 14/20 0.77
FLT3 P36888 3/20 0.60
KCNH2 Q12809 1/20 0.58
RET P07949 1/20 0.49

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
SCHEMBL19986998 0.87 PIM1 (0.79) PIM1PIM2FLT3KCNH2RET
SCHEMBL19986954 0.86 PIM1 (0.76) PIM1PIM2FLT3KCNH2RET
SCHEMBL22421506 0.86 PIM1 (0.61) PIM1PIM2FLT3KCNH2RET
SCHEMBL102722 0.86 PIM1 (1.00) PIM1PIM2FLT3KCNH2RET
SCHEMBL102910 0.76 PIM1 (1.00) PIM1PIM2FLT3
SCHEMBL19987094 0.76 PIM1 (0.52) PIM1PIM2FLT3
SCHEMBL19987012 0.76 PIM1 (0.82) PIM1PIM2FLT3
SCHEMBL4594844 0.76 RET (0.72) PIM1PIM2FLT3RET
SCHEMBL4878960 0.75 PIM1 (0.79) PIM1PIM2FLT3RET
SCHEMBL102215 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3812387-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS Sumitomo Dainippon Pharma Oncology, Inc. (US) 2021-04-28 EP disclosed
EP-2734205-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2018-03-21 EP disclosed