SCHEMBL28706993

SCHEMBL28706993

Cc1[c]ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)nc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
ALDH3A1 P30838 1/20 0.32
HTT P42858 1/20 0.32
NOD1 Q9Y239 1/20 0.32

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
SCHEMBL28712257 0.88 L3MBTL1 (0.42) PTPN11L3MBTL1CA1CA2MEN1
SCHEMBL720829 0.80 TGFBR1 (0.41) PTPN11L3MBTL1CA1CA2MEN1
SCHEMBL29607743 0.78 PTPN11 (0.45) PTPN11L3MBTL1CA1CA2MEN1
SCHEMBL7910236 0.78 PTPN11 (0.40) PTPN11L3MBTL1CA1CA2MEN1
SCHEMBL16186634 0.77 L3MBTL1 (0.39) PTPN11L3MBTL1MEN1KMT2APIM1
SCHEMBL29608973 0.77 PTPN11 (0.45) PTPN11L3MBTL1MEN1KMT2AENPP3
SCHEMBL26620863 0.77 L3MBTL1 (0.39) PTPN11L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL30641868 0.77 L3MBTL1 (0.39) PTPN11L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL29609087 0.76 L3MBTL1 (0.42) PTPN11L3MBTL1CA1CA2MEN1
SCHEMBL721584 0.76 L3MBTL1 (0.42) PTPN11L3MBTL1CA1CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073474-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-20 CN disclosed
CN-115028639-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-09 CN disclosed
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 CN disclosed