SCHEMBL19785349

SCHEMBL19785349

Cc1nc(N2CCC3(CCOC3)CC2)c(CO)nc1-c1cc2ccccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.41
EGFR P00533 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 2/20 0.39
TTK P33981 1/20 0.33
OGA O60502 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
FASN P49327 1/20 0.32
ADRA2A P08913 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL20909038 0.84 CYP11B2 (0.45) PTPN11CYP11B2CYP11B1TTKDYRK1A
SCHEMBL19785348 0.80 PTPN11 (0.64) PTPN11EGFRKCNH2
SCHEMBL25713879 0.76 PTPN11 (0.71) PTPN11EGFRKCNH2
SCHEMBL23510860 0.74 PTPN11 (0.40) PTPN11EGFRKCNH2CYP11B2CYP11B1
SCHEMBL24541893 0.74 PTPN11 (0.37) PTPN11EGFRKCNH2CYP11B2CYP11B1
SCHEMBL19785390 0.71 PTPN11 (0.46) PTPN11EGFRKCNH2CYP11B2CYP11B1
SCHEMBL19785579 0.70 PTPN11 (0.49) PTPN11EGFRKCNH2
SCHEMBL20909052 0.69 PTPN11 (0.42) PTPN11KCNH2CYP11B2
SCHEMBL25124236 0.68 PTPN11 (0.41) PTPN11EGFRKCNH2CYP11B2CYP11B1
SCHEMBL23186804 0.68 KIF18A (0.46) PTPN11EGFRKCNH2CYP11B2KDM4E

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
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 WO disclosed