SCHEMBL19987030

SCHEMBL19987030

[O-][S+]1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 19/20 0.78
KCNH2 Q12809 4/20 0.78
GAK O14976 1/20 0.60
STK10 O94804 1/20 0.60
YES1 P07947 1/20 0.60
RET P07949 1/20 0.60
PDGFRB P09619 1/20 0.60
CSNK2A2 P19784 1/20 0.60
FLT3 P36888 1/20 0.60
ACVR1 Q04771 1/20 0.60
PKN1 Q16512 1/20 0.60
PIM3 Q86V86 1/20 0.60
HASPIN Q8TF76 1/20 0.60
SIK2 Q9H0K1 1/20 0.60
SLK Q9H2G2 1/20 0.60
BMP2K Q9NSY1 1/20 0.60
PIM2 Q9P1W9 1/20 0.60
PRKAG2 Q9UGJ0 1/20 0.60
RPS6KA6 Q9UK32 1/20 0.60
IRAK3 Q9Y616 1/20 0.60

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
SCHEMBL19987018 0.89 PIM1 (0.84) PIM1KCNH2GAKSTK10YES1
SCHEMBL103184 0.88 PIM1 (1.00) PIM1KCNH2
SCHEMBL135844 0.88 PIM1 (1.00) PIM1KCNH2
SCHEMBL102397 0.88 PIM1 (1.00) PIM1KCNH2
SCHEMBL102682 0.87 PIM1 (1.00) PIM1KCNH2
SCHEMBL16211078 0.87 PIM1 (1.00) PIM1KCNH2
SCHEMBL102533 0.87 PIM1 (1.00) PIM1KCNH2FYN
SCHEMBL19986921 0.87 PIM1 (0.79) PIM1KCNH2GAKSTK10YES1
SCHEMBL178304 0.85 PIM1 (1.00) PIM1KCNH2GAKSTK10YES1
SCHEMBL102883 0.85 PIM1 (1.00) PIM1KCNH2GAKSTK10YES1

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 3 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-3409278-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2020-09-16 EP disclosed
EP-2734205-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2018-03-21 EP disclosed