SCHEMBL24876402

SCHEMBL24876402

Cn1nc(CC#N)c2c(I)cccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.37
EIF2AK2 P19525 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
KCNA5 P22460 1/20 0.32
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL25066349 0.83 MAPK13 (0.38) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL30913666 0.82 MAPK13 (0.37) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL24876803 0.82 MAPK13 (0.37) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL25066630 0.79 MAPK13 (0.38) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL25066674 0.79 MAPK13 (0.35) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL423714 0.74 PDPK1 (0.41) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL30129971 0.73 MAPK13 (0.32) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL24876410 0.73 MAPK13 (0.32) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL24876409 0.71 HTR2A (0.40) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL7134676 0.65 MAPK13 (0.40) MAPK13EIF2AK2MAPK12MAPK11MAPK14

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-2023283213-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-12 WO disclosed