SCHEMBL29589232

SCHEMBL29589232

C[C@H]1CCC[C@H]1n1nc(C(=O)O)c2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RET P07949 20/20 0.61
LCK P06239 1/20 0.46
SRC P12931 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
SCHEMBL23440123 0.98 RET (0.58) RETLCKSRC
SCHEMBL19732705 0.85 RET (0.61) RET
SCHEMBL19303914 0.82 RET (0.64) RET
SCHEMBL29588931 0.81 RET (0.60) RETLCKSRC
SCHEMBL19732745 0.81 RET (0.63) RET
SCHEMBL29589133 0.80 RET (0.61) RETLCKSRC
SCHEMBL19732673 0.77 RET (0.63) RETLCKSRC
SCHEMBL29589208 0.77 RET (0.57) RETLCKSRC
SCHEMBL19732685 0.77 RET (0.42) RETLCKSRC
SCHEMBL19732675 0.77 RET (0.62) RET

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-108697714-B Fused pyrimidine compound or salt thereof 大鹏药品工业株式会社 2022-04-26 CN disclosed