SCHEMBL30129971

SCHEMBL30129971

Cn1nc(CC#N)c2c(B3OC(C)(C)C(C)(C)O3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.32
EIF2AK2 P19525 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL24876410 1.00 MAPK13 (0.32) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL30129969 0.77 HTR2A (0.34)
SCHEMBL24876118 0.77 HTR2A (0.34)
SCHEMBL25066349 0.74 MAPK13 (0.38) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL25066674 0.74 MAPK13 (0.35) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL25066630 0.74 MAPK13 (0.38) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL24876803 0.73 MAPK13 (0.37) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL30913666 0.73 MAPK13 (0.37) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL24876402 0.73 MAPK13 (0.37) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL19743783 0.72 ESR2 (0.33)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367117-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-05-15 EP disclosed
WO-2023283213-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-12 WO disclosed