SCHEMBL28503544

SCHEMBL28503544

Cc1ccc(S(=O)(=O)n2cc(-c3ccc4c(c3)CCN(C)C4=O)c3cc(Br)cnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.35
PRF1 P14222 3/20 0.34
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
OPRD1 P41143 1/20 0.34
BRD4 O60885 2/20 0.33
CYP3A4 P08684 2/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL28506377 0.95 PTPN11 (0.45) PTPN11L3MBTL1PRF1MAPTRECQL
SCHEMBL28509537 0.86 PTPN11 (0.45) PTPN11L3MBTL1BRD4ENPP3ENPP1
SCHEMBL31396616 0.83 PTPN11 (0.53) PTPN11L3MBTL1MAPTBRD4ENPP3
SCHEMBL28510061 0.81 PTPN11 (0.49) PTPN11CYP11B1CYP11B2HTR6
SCHEMBL7905360 0.80 PTPN11 (0.46) PTPN11L3MBTL1MAPTRECQLBRD4
SCHEMBL31344454 0.79 PTPN11 (0.50) PTPN11L3MBTL1MAPTENPP3ENPP1
SCHEMBL721024 0.79 HTR6 (0.46) PTPN11HTR6
SCHEMBL31396524 0.78 PTPN11 (0.52) PTPN11L3MBTL1MAPTBRD4ENPP3
SCHEMBL31396517 0.78 PTPN11 (0.49) PTPN11L3MBTL1MAPTBRD4GRM5
SCHEMBL720190 0.78 PTPN11 (0.49) PTPN11L3MBTL1MAPTCYP3A4ENPP3

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-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed