SCHEMBL24187442

SCHEMBL24187442

O=C1NCCn2c1cc1cc(F)c(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 8/20 0.42
▸ HRH3 Q9Y5N1 6/20 0.42
▸ RPS6KA2 Q15349 8/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ MAPKAPK2 P49137 2/20 0.40
▸ PARP1 P09874 3/20 0.39

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
SCHEMBL24187362 0.77 RPS6KA2 (0.56) RPS6KA3HRH3RPS6KA2MAPKAPK2PARP1
SCHEMBL19187485 0.77 HRH3 (0.52) RPS6KA3HRH3RPS6KA2CYP2D6MAPKAPK2
SCHEMBL7167059 0.77 RPS6KA3 (0.53) RPS6KA3HRH3RPS6KA2CYP2D6MAPKAPK2
SCHEMBL19252882 0.74 RPS6KA3 (0.56) RPS6KA3HRH3RPS6KA2CYP2D6MAPKAPK2
SCHEMBL2160684 0.74 HRH3 (0.54) RPS6KA3HRH3RPS6KA2CYP2D6MAPKAPK2
SCHEMBL9573820 0.73 HRH3 (0.39) RPS6KA3HRH3RPS6KA2CYP2D6MAPKAPK2
SCHEMBL5359531 0.71 HRH3 (0.46) RPS6KA3HRH3RPS6KA2CYP2D6
SCHEMBL5359538 0.71 HRH3 (0.46) RPS6KA3HRH3RPS6KA2CYP2D6
SCHEMBL1393632 0.71 RPS6KA3 (0.53) RPS6KA3HRH3RPS6KA2CYP2D6MAPKAPK2
SCHEMBL30172384 0.71 RPS6KA3 (0.53) RPS6KA3HRH3RPS6KA2CYP2D6MAPKAPK2

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
CN-115720578-A Tricyclic derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-02-28 — — CN disclosed
WO-2022007866-A1 FUSED TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 深圳信立泰药业股份有限公司 2022-01-13 — — WO disclosed
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