SCHEMBL31531816

SCHEMBL31531816

C=C1CN2CCC[C@]2(COc2ncc3c4c(c(Br)c(Cl)c3n2)COC4)C1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.38

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
SCHEMBL31531830 1.00 KRAS (0.38) KRAS
SCHEMBL31531756 0.89 KRAS (0.37) KRAS
SCHEMBL31531773 0.89 KRAS (0.37) KRAS
SCHEMBL26536954 0.76 KRAS (0.37) KRAS
SCHEMBL31531798 0.75 KRAS (0.50) KRAS
SCHEMBL31531797 0.75 KRAS (0.50) KRAS
SCHEMBL26110724 0.73 KRAS (0.51) KRAS
SCHEMBL31531856 0.70 KRAS (0.44) KRAS
SCHEMBL31531791 0.70 — —
SCHEMBL26981362 0.69 KRAS (0.42) KRAS

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
WO-2025092798-A1 FUSED HETEROARYL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2025-05-08 — — WO disclosed
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