SCHEMBL30129969

SCHEMBL30129969

Cn1cc(CC#N)c2c(B3OC(C)(C)C(C)(C)O3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
GPR84 Q9NQS5 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
IMPDH2 P12268 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
SCHEMBL24876118 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BGPR84USP2
SCHEMBL24876410 0.77 MAPK13 (0.32)
SCHEMBL30129971 0.77 MAPK13 (0.32)
SCHEMBL534206 0.75 LPL (0.39)
SCHEMBL30821196 0.75 LPL (0.39)
SCHEMBL31436730 0.74 JAK2 (0.36)
SCHEMBL23210795 0.74 JAK2 (0.36)
SCHEMBL1856232 0.74 CMA1 (0.45) HTR2AHTR2CHTR2BGPR84IMPDH2
SCHEMBL19100562 0.73 JAK2 (0.39) HTR2AHTR2CHTR2B
SCHEMBL25066353 0.73 HTR2A (0.38) HTR2AHTR2CHTR2BGPR84IMPDH2

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