SCHEMBL30182820

SCHEMBL30182820

Cc1cccc(-c2[nH]c(NCc3ccc(Cl)c(Cl)c3)nc2-c2ccc3c(cnn3C3CCCCO3)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 18/20 0.72
▸ CYP1A2 P05177 3/20 0.55
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46

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
SCHEMBL29281243 1.00 TGFBR1 (0.72) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29281220 0.90 TGFBR1 (0.71) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30855625 0.90 TGFBR1 (0.71) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30855660 0.88 TGFBR1 (0.61) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29281212 0.88 TGFBR1 (0.61) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29281227 0.86 TGFBR1 (0.72) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29281257 0.86 TGFBR1 (0.71) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29281269 0.85 TGFBR1 (0.64) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29281253 0.84 TGFBR1 (1.00) TGFBR1CYP1A2
SCHEMBL30855624 0.84 TGFBR1 (1.00) TGFBR1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384511-A1 FUSED RING HETEROARYL COMPOUNDS AND USE THEREOF Bisichem Co., Ltd. (KR) 2024-06-19 — — EP disclosed
CN-117881669-A Condensed ring heteroaryl compounds and uses thereof 比西切姆有限公司 2024-04-12 — — CN disclosed
WO-2023018313-A1 FUSED RING HETEROARYL COMPOUNDS AND USE THEREOF BISICHEM CO., LTD. (KR) 2023-02-16 — — WO disclosed
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