SCHEMBL30541679

SCHEMBL30541679

Cc1nc(-c2ccc(N3CCN(C4CCC4)CC3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.44
▸ HRH1 P35367 1/20 0.41
▸ KDM2B Q8NHM5 8/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ PTK2 Q05397 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ PTGS2 P35354 3/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL25366282 1.00 HRH3 (0.44) HRH3HRH1KDM2BJAK3PTK2
SCHEMBL25364449 0.93 JAK3 (0.43) HRH3JAK3PTK2JAK2PTGS2
SCHEMBL30541584 0.91 HRH3 (0.36) HRH3HRH1JAK3PTK2JAK2
SCHEMBL25366890 0.91 HRH3 (0.36) HRH3HRH1JAK3PTK2JAK2
SCHEMBL30541663 0.89 PTGS2 (0.38) PTGS2GPR119
SCHEMBL30541593 0.89 PTGS2 (0.36) PTGS2GPR119
SCHEMBL25364439 0.89 PTGS2 (0.36) PTGS2GPR119
SCHEMBL25366145 0.89 PTGS2 (0.38) PTGS2GPR119
SCHEMBL24266306 0.87 HRH3 (0.42) HRH3HRH1KDM2BJAK3PTK2
SCHEMBL29399201 0.87 HRH3 (0.42) HRH3HRH1KDM2BJAK3PTK2

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-4479407-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP disclosed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO disclosed
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