SCHEMBL31219422

SCHEMBL31219422

Cn1c(C2N(C(=O)OC(C)(C)C)CC23CCC3)c(-c2ccc(Oc3ncccn3)cc2)c2c(N)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 4/20 0.39
▸ KDR P35968 4/20 0.39
▸ TEK Q02763 4/20 0.39
▸ SRC P12931 15/20 0.39
▸ BTK Q06187 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ABL2 P42684 1/20 0.37

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
SCHEMBL31219412 0.91 SRC (0.38) LCKKDRTEKSRCBTK
SCHEMBL31219403 0.86 SRC (0.40) LCKKDRTEKSRCBTK
SCHEMBL26105238 0.82 SRC (0.43) LCKKDRTEKSRCBTK
SCHEMBL30582582 0.82 SRC (0.43) LCKKDRTEKSRCBTK
SCHEMBL22659216 0.81 SRC (0.53) LCKKDRTEKSRCBTK
SCHEMBL31219400 0.78 LCK (0.42) LCKKDRTEKSRCBTK
SCHEMBL31219381 0.78 SRC (0.45) LCKKDRTEKSRCBTK
SCHEMBL30582573 0.75 SRC (0.40) LCKKDRTEKSRCBTK
SCHEMBL26105368 0.75 SRC (0.40) LCKKDRTEKSRCBTK
SCHEMBL30582598 0.74 SRC (0.40) KDRSRCBTKEGFRABL1

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-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 — — CN disclosed
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