SCHEMBL29174680

SCHEMBL29174680

O=S(=O)(c1ccccc1)n1cc(-c2nc(Nc3cn[nH]c3)ncc2Cl)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.48
▸ HTR6 P50406 9/20 0.46
▸ DRD2 P14416 4/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ HTR7 P34969 3/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ FLT3 P36888 1/20 0.42

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
SCHEMBL29174592 0.86 EGFR (0.48) EGFRHTR6DRD2HTR2AHTR7
SCHEMBL16665592 0.83 EGFR (0.51) EGFRHTR6DRD2HTR2AHTR7
SCHEMBL29613438 0.83 EGFR (0.51) EGFRHTR6DRD2HTR2AHTR7
SCHEMBL19054622 0.83 HTR6 (0.53) EGFRHTR6DRD2HTR2AHTR7
SCHEMBL29174718 0.82 EGFR (0.57) EGFRFLT3
SCHEMBL27223018 0.80 EGFR (0.48) EGFRHTR6DRD2HTR2AHTR7
SCHEMBL29613470 0.80 EGFR (0.48) EGFRHTR6DRD2HTR2AHTR7
SCHEMBL6039811 0.79 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL29429815 0.79 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL30725427 0.79 EGFR (0.47) EGFRHTR6DRD2HTR2AHTR7

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-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 — — CN disclosed
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