SCHEMBL31219381

SCHEMBL31219381

Cn1c(C2CN(C(=O)OC(C)(C)C)CCC23CC=CCC3)c(-c2ccc(Oc3ncccn3)cc2)c2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.45
▸ EGFR P00533 3/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ ABL2 P42684 2/20 0.43
▸ BTK Q06187 5/20 0.36
▸ KDR P35968 3/20 0.35
▸ RET P07949 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ LCK P06239 2/20 0.34
▸ TEK Q02763 2/20 0.34

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
SCHEMBL31219375 0.92 SRC (0.53) SRCEGFRABL1ABL2KDR
SCHEMBL31219361 0.89 SRC (0.47) SRCEGFRABL1ABL2KDR
SCHEMBL31219364 0.89 SRC (0.44) SRCEGFRABL1ABL2KDR
SCHEMBL31219363 0.89 SRC (0.45) SRCEGFRABL1ABL2BTK
SCHEMBL31219403 0.89 SRC (0.40) SRCEGFRABL1ABL2BTK
SCHEMBL31219398 0.88 SRC (0.42) SRCEGFRABL1ABL2BTK
SCHEMBL31219370 0.88 SRC (0.55) SRCEGFRABL1ABL2
SCHEMBL31219429 0.87 SRC (0.44) SRCEGFRABL1ABL2KDR
SCHEMBL31219412 0.86 SRC (0.38) SRCEGFRABL1ABL2BTK
SCHEMBL31219405 0.85 SRC (0.45) SRCEGFRABL1ABL2BTK

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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