SCHEMBL20909362

SCHEMBL20909362

COc1ccc(F)c(-c2cnc(N3CCC4(CCOC4)CC3)c(CO)n2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 14/20 0.46
TTK P33981 3/20 0.37
LRRK2 Q5S007 1/20 0.36
GAK O14976 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35

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
SCHEMBL20909053 0.86 PTPN11 (0.50) PTPN11
SCHEMBL30787770 0.81 PTPN11 (0.72) PTPN11
SCHEMBL20899359 0.81 PTPN11 (0.72) PTPN11
SCHEMBL22594940 0.79 PTPN11 (0.58) PTPN11
SCHEMBL20909363 0.77 PTPN11 (0.69) PTPN11
SCHEMBL20909037 0.74 PTPN11 (0.66) PTPN11
SCHEMBL20909187 0.74 PTPN11 (0.68) PTPN11
SCHEMBL20909377 0.73 PTPN11 (0.60) PTPN11
SCHEMBL20909388 0.72 PTPN11 (0.69) PTPN11
SCHEMBL20909295 0.72 PTPN11 (0.55) 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-2019075265-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2019-04-18 WO disclosed