SCHEMBL22421539

SCHEMBL22421539

CC1(O)CCC(Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 20/20 1.00
PIM2 Q9P1W9 14/20 1.00
FLT3 P36888 4/20 0.78
KCNH2 Q12809 2/20 0.61

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
SCHEMBL138424 1.00 PIM1 (1.00) PIM1PIM2FLT3KCNH2
SCHEMBL102869 1.00 PIM1 (1.00) PIM1PIM2FLT3KCNH2
SCHEMBL134840 0.88 PIM1 (1.00) PIM1PIM2FLT3KCNH2
SCHEMBL102174 0.88 PIM1 (1.00) PIM1PIM2FLT3KCNH2
SCHEMBL19986965 0.88 PIM1 (0.83) PIM1PIM2FLT3KCNH2
SCHEMBL19986964 0.87 PIM1 (0.83) PIM1PIM2FLT3KCNH2
SCHEMBL142491 0.87 PIM1 (1.00) PIM1PIM2FLT3KCNH2
SCHEMBL18356465 0.87 PIM1 (1.00) PIM1PIM2FLT3KCNH2
SCHEMBL102945 0.87 PIM1 (1.00) PIM1PIM2FLT3KCNH2
SCHEMBL19986923 0.86 PIM1 (1.00) PIM1PIM2FLT3KCNH2

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-3409278-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2020-09-16 EP disclosed