SCHEMBL31044666

SCHEMBL31044666

N#Cc1cnn2cc(OCc3ncco3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 12/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ TSHR P16473 3/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL31458919 0.78 MAPT (0.54) RETSMN1; SMN2TSHRHSD17B10L3MBTL1
SCHEMBL30725889 0.78 MAOB (0.52) RETCYP19A1LMNA
SCHEMBL29566683 0.77 RET (0.45) RET
SCHEMBL25252185 0.77 CDK2 (0.36) RETSMN1; SMN2CDK2
SCHEMBL30175370 0.77 CDK2 (0.36) RETSMN1; SMN2CDK2HSD17B10L3MBTL1
SCHEMBL31458801 0.76 RET (0.46) RETCYP19A1HSD17B10
Hydrochloric Acid SCHEMBL28993707 0.76 RET (0.44) RET
SCHEMBL30175349 0.75 CYP11B1 (0.41) RETCDK2L3MBTL1
SCHEMBL30175296 0.75 RET (0.45) RET
SCHEMBL30175312 0.75 MAOA (0.35) RETSMN1; SMN2CDK2

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-111285874-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-08-09 — — CN disclosed
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