SCHEMBL29227910

SCHEMBL29227910

COc1cc(-c2cc(Cl)ccc2-n2cc(C#N)nn2)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 15/20 0.42
▸ KLKB1 P03952 12/20 0.39
▸ NOTUM Q6P988 2/20 0.38
▸ EED O75530 1/20 0.34
▸ RBBP4 Q09028 1/20 0.34
▸ SUZ12 Q15022 1/20 0.34
▸ EZH2 Q15910 1/20 0.34
▸ AEBP2 Q6ZN18 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL28514407 0.91 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL30994984 0.88 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL29227906 0.88 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL16971396 0.83 F11 (0.41) F11KLKB1NOTUMCYP3A4
SCHEMBL30995026 0.83 F11 (0.44) F11KLKB1NOTUMEEDRBBP4
SCHEMBL30271754 0.83 F11 (0.41) F11KLKB1NOTUMCYP3A4
SCHEMBL29479366 0.78 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL21357425 0.78 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL24633462 0.77 F11 (0.46) F11KLKB1CYP3A4
SCHEMBL16115569 0.75 KDM4E (0.42) F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126046-A Substituted macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-04 — — CN disclosed
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