SCHEMBL625323

SCHEMBL625323

CN1CCC(CNc2nn3c(-c4ccc(O)cc4)cnc3s2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.65
FYN P06241 14/20 0.57
PIM1 P11309 3/20 0.44
GAK O14976 1/20 0.43
STK10 O94804 1/20 0.43
YES1 P07947 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
CSNK2A2 P19784 1/20 0.43
FLT3 P36888 1/20 0.43
ACVR1 Q04771 1/20 0.43
KCNH2 Q12809 1/20 0.43
PKN1 Q16512 1/20 0.43
PIM3 Q86V86 1/20 0.43
HASPIN Q8TF76 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
SLK Q9H2G2 1/20 0.43
BMP2K Q9NSY1 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43

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
SCHEMBL1944317 0.91 MKNK1 (0.78) MKNK1FYNPIM1
SCHEMBL1946447 0.86 FYN (0.72) MKNK1FYN
SCHEMBL625256 0.82 FYN (0.72) MKNK1FYNPIM1PIM2
SCHEMBL627314 0.81 MKNK1 (0.53) MKNK1FYNPIM1GAKSTK10
SCHEMBL1944246 0.80 MKNK1 (0.80) MKNK1FYNPIM1
SCHEMBL1945274 0.80 MKNK1 (0.74) MKNK1FYNPIM1
SCHEMBL2251624 0.79 MKNK1 (1.00) MKNK1FYN
SCHEMBL1946961 0.79 MKNK1 (0.73) MKNK1FYNPIM1
SCHEMBL1945919 0.78 MKNK1 (0.65) MKNK1FYNPIM1PIM2
SCHEMBL625672 0.78 PIK3CA (0.53) MKNK1FYN

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
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed