SCHEMBL22789641

SCHEMBL22789641

Cc1nc(N2CCC3(CC2)Cc2ccccc2C3)c(CO)nc1-c1ccc2c(cnn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.41
FAAH O00519 1/20 0.39
TGFBR1 P36897 9/20 0.38
MAPK14 Q16539 7/20 0.38
OTUD7B Q6GQQ9 1/20 0.37
PRMT5 O14744 1/20 0.37
BRAF P15056 1/20 0.36
EGFR P00533 1/20 0.36
KCNH2 Q12809 1/20 0.36
TRPA1 O75762 1/20 0.36
USP30 Q70CQ3 1/20 0.35
KDM1A O60341 1/20 0.35
FASN P49327 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
SCHEMBL22789758 0.86 PTPN11 (0.41) PTPN11EGFRKCNH2
SCHEMBL22789666 0.83 PTPN11 (0.50) PTPN11MAPK14BRAFEGFRKCNH2
SCHEMBL24282700 0.83 PTPN11 (0.46) PTPN11TGFBR1MAPK14KCNH2TRPA1
SCHEMBL24282635 0.80 PTPN11 (0.46) PTPN11EGFRKCNH2
SCHEMBL24282647 0.79 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL23186796 0.78 PTPN11 (0.41) PTPN11EGFRKCNH2FASN
SCHEMBL22789760 0.76 PTPN11 (0.63) PTPN11EGFRKCNH2
SCHEMBL24282661 0.76 PTPN11 (0.52) PTPN11EGFRKCNH2
SCHEMBL24282659 0.76 PTPN11 (0.43) PTPN11EGFRKCNH2
SCHEMBL24282630 0.75 PTPN11 (0.54) PTPN11EGFRKCNH2

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-3984999-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR Beijing Shenogen Pharma Group Ltd. (CN) 2022-04-20 EP disclosed
WO-2020249079-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR 北京盛诺基医药科技股份有限公司 2020-12-17 WO disclosed