SCHEMBL30130003

SCHEMBL30130003

Cn1cc(CC#N)c2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.40
HTR2C P28335 6/20 0.40
HTR2B P41595 6/20 0.40
GPR84 Q9NQS5 1/20 0.38
IMPDH2 P12268 1/20 0.36
ALDH1A1 P00352 1/20 0.33
DUSP3 P51452 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GRM2 Q14416 1/20 0.32
KDR P35968 2/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
CNR2 P34972 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL1856232 0.83 CMA1 (0.45) HTR2AHTR2CHTR2BGPR84IMPDH2
SCHEMBL24876409 0.81 HTR2A (0.40) HTR2AHTR2CHTR2BGPR84IMPDH2
SCHEMBL13015287 0.79 HTR2C (0.41) HTR2AHTR2CHTR2BGPR84IMPDH2
SCHEMBL25066353 0.79 HTR2A (0.38) HTR2AHTR2CHTR2BGPR84IMPDH2
SCHEMBL5645566 0.73 GPR84 (0.65) HTR2AGPR84IMPDH2ALDH1A1DUSP3
SCHEMBL30958471 0.73 GPR84 (0.65) HTR2AGPR84IMPDH2ALDH1A1DUSP3
SCHEMBL3562734 0.73 L3MBTL1 (0.45) PDE10A
SCHEMBL24876118 0.73 HTR2A (0.34) HTR2AHTR2CHTR2BGPR84IMPDH2
SCHEMBL30129969 0.73 HTR2A (0.34) HTR2AHTR2CHTR2BGPR84IMPDH2
SCHEMBL20120027 0.72 CMA1 (0.47) HTR2AHTR2CHTR2BCTSGCMA1

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