SCHEMBL30523959

SCHEMBL30523959

Cc1ccc(S(=O)(=O)n2cc(-c3nc(Cl)ncc3Cl)c3cccnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
RPS6KA5 O75582 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
PKM P14618 1/20 0.41
HSD11B1 P28845 2/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
HTR6 P50406 1/20 0.39
BRD4 O60885 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
COMT P21964 1/20 0.38
KDM4E B2RXH2 1/20 0.37
UBE2N P61088 1/20 0.37
METAP1 P53582 1/20 0.37
PTPN11 Q06124 1/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL17490462 1.00 L3MBTL1 (0.49) L3MBTL1RPS6KA5CCNCCDK8PKM
SCHEMBL29174646 0.90 CCNC (0.49) RPS6KA5CCNCCDK8PKMHTR6
SCHEMBL30725457 0.90 CCNC (0.49) RPS6KA5CCNCCDK8PKMHTR6
SCHEMBL31006842 0.86 ABL1 (0.41) L3MBTL1HSD11B1ABL1BCRBRD4
SCHEMBL31006838 0.82 BRD4 (0.38) L3MBTL1HSD11B1ABL1BCRBRD4
SCHEMBL29394672 0.79 HSD11B1 (0.40) L3MBTL1HSD11B1ABL1BCRHTR6
SCHEMBL18662641 0.79 HSD11B1 (0.40) L3MBTL1HSD11B1ABL1BCRHTR6
SCHEMBL30546670 0.79 RPS6KA5 (0.47) RPS6KA5
SCHEMBL18979242 0.79 RPS6KA5 (0.47) RPS6KA5
SCHEMBL1779514 0.78 L3MBTL1 (0.60) L3MBTL1PKMHSD11B1PTGDR2HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118480029-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 2024-08-13 CN disclosed
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