SCHEMBL19987040

SCHEMBL19987040

[O-][S+]1CCC(CNc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 18/20 0.75
FYN P06241 2/20 0.62
KCNH2 Q12809 4/20 0.60
PIM2 Q9P1W9 3/20 0.59
PIM3 Q86V86 2/20 0.59
GAK O14976 1/20 0.58
STK10 O94804 1/20 0.58
YES1 P07947 1/20 0.58
RET P07949 1/20 0.58
PDGFRB P09619 1/20 0.58
CSNK2A2 P19784 1/20 0.58
FLT3 P36888 1/20 0.58
ACVR1 Q04771 1/20 0.58
PKN1 Q16512 1/20 0.58
HASPIN Q8TF76 1/20 0.58
SIK2 Q9H0K1 1/20 0.58
SLK Q9H2G2 1/20 0.58
BMP2K Q9NSY1 1/20 0.58
PRKAG2 Q9UGJ0 1/20 0.58
RPS6KA6 Q9UK32 1/20 0.58

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
SCHEMBL137404 0.92 PIM1 (0.84) PIM1FYNKCNH2PIM2PIM3
SCHEMBL14639287 0.88 PIM1 (0.78) PIM1FYNKCNH2PIM2PIM3
SCHEMBL19986921 0.87 PIM1 (0.79) PIM1FYNKCNH2PIM2PIM3
SCHEMBL19987121 0.86 PIM1 (0.73) PIM1FYNKCNH2PIM2
SCHEMBL102686 0.85 PIM1 (1.00) PIM1FYNKCNH2PIM2PIM3
SCHEMBL24736878 0.80 PIM1 (0.67) PIM1FYNKCNH2PIM2PIM3
SCHEMBL29555535 0.80 PIM1 (0.67) PIM1FYNKCNH2PIM2PIM3
SCHEMBL29555539 0.79 PIM1 (0.65) PIM1FYNKCNH2PIM2PIM3
SCHEMBL24736881 0.79 PIM1 (0.65) PIM1FYNKCNH2PIM2PIM3
SCHEMBL140271 0.77 PIM1 (0.89) PIM1FYNKCNH2PIM2PIM3

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