SCHEMBL24151920

SCHEMBL24151920

CCOC(=O)c1nc(Sc2ccnc(N3CC(F)(CO)C3)c2Cl)cnc1N1CCC2(CC1)CO[C@@H](C)C2

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 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
SCHEMBL25801371 0.89 PTPN11 (0.49) PTPN11
SCHEMBL24151354 0.89 PTPN11 (0.42) PTPN11
SCHEMBL24152574 0.87 PTPN11 (0.43) PTPN11
SCHEMBL24151919 0.87 PTPN11 (0.55) PTPN11
SCHEMBL24152328 0.85 PTPN11 (0.43) PTPN11
SCHEMBL24151025 0.83 PTPN11 (0.42) PTPN11
SCHEMBL25807539 0.83 PTPN11 (0.44) PTPN11
SCHEMBL24151883 0.83 PTPN11 (0.46) PTPN11
SCHEMBL24151074 0.81 PTPN11 (0.44) PTPN11
SCHEMBL24152556 0.80 PTPN11 (0.44) PTPN11

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
WO-2021259077-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-12-30 WO disclosed