SCHEMBL24490651

SCHEMBL24490651

[O-][S+](c1ccccc1)n1cc(-c2cc(C3CC3)on2)c2c(Cl)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 18/20 0.52
▸ CYP1A2 P05177 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ FGR P09769 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ RPS6KA1 Q15418 1/20 0.36
▸ SRC P12931 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35

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
SCHEMBL21178822 0.77 RET (0.52) RET
SCHEMBL21178845 0.76 RET (0.75) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178853 0.74 RET (0.76) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178907 0.74 RET (0.76) RETSRC
SCHEMBL31639888 0.74 RET (0.76) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21801382 0.72 RET (0.50) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL19366587 0.71 SRC (0.40) SRC
SCHEMBL21801375 0.69 RET (0.52) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178912 0.68 RET (1.00) RETKDRSRC
SCHEMBL21178840 0.68 RET (1.00) RETCYP1A2HCKFGRRPS6KB1

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
EP-3849986-B1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2022-06-08 — — EP disclosed
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