SCHEMBL30541640

SCHEMBL30541640

COc1ccc(-c2nc3c(C)nc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cc3n2C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 4/20 0.47
▸ TGFBR1 P36897 3/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TLR9 Q9NR96 3/20 0.46
▸ TLR7 Q9NYK1 3/20 0.46
▸ TLR8 Q9NR97 2/20 0.46
▸ MAP4K1 Q92918 1/20 0.43
▸ BMPR1B O00238 1/20 0.42
▸ BMPR1A P36894 1/20 0.42
▸ ACVR1B P36896 1/20 0.42
▸ ACVRL1 P37023 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ALK Q9UM73 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 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
SCHEMBL25365763 1.00 ACVR1 (0.47) ACVR1TGFBR1KCNH2TLR9TLR7
SCHEMBL25364535 0.89 TLR9 (0.39) ACVR1TGFBR1KCNH2TLR9TLR7
SCHEMBL30541602 0.89 TLR9 (0.39) ACVR1TGFBR1KCNH2TLR9TLR7
SCHEMBL30541672 0.88 TLR9 (0.36) ACVR1TGFBR1KCNH2TLR9TLR7
SCHEMBL25363409 0.88 ALDH1A1 (0.39) ACVR1TGFBR1KCNH2TLR9TLR7
SCHEMBL30541587 0.88 TLR9 (0.42) ACVR1TGFBR1TLR9TLR7TLR8
SCHEMBL25365933 0.88 TLR9 (0.36) ACVR1TGFBR1KCNH2TLR9TLR7
SCHEMBL25365416 0.88 TLR9 (0.42) ACVR1TGFBR1TLR9TLR7TLR8
SCHEMBL30541681 0.88 ALDH1A1 (0.39) ACVR1TGFBR1KCNH2TLR9TLR7
SCHEMBL25366340 0.86 ACVR1 (0.48) ACVR1TGFBR1KCNH2TLR9TLR7

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 4 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 claimed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO claimed
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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