SCHEMBL4092866

SCHEMBL4092866

Nc1nc(Nc2ccc(OCc3ccccc3)c(Cl)c2)ncc1C=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.63
▸ ERBB2 P04626 12/20 0.55
▸ PTK6 Q13882 1/20 0.50
▸ GRM4 Q14833 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ STK10 O94804 1/20 0.44
▸ SLK Q9H2G2 1/20 0.44
▸ ACP1 P24666 1/20 0.44
▸ PTPN12 Q05209 1/20 0.44
▸ PTPN13 Q12923 1/20 0.44
▸ SSU72 Q9NP77 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ BLM P54132 1/20 0.43

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
SCHEMBL3973068 0.84 ERBB2 (0.62) EGFRERBB2PTK6GRM4AURKA
SCHEMBL2103566 0.78 BCL6 (0.59) EGFRERBB2GRM4AURKASLK
SCHEMBL5029023 0.77 PTK6 (0.56) EGFRERBB2PTK6GRM4STK10
SCHEMBL1096240 0.77 EGFR (1.00) EGFRERBB2GRM4AURKA
Hydrochloric Acid SCHEMBL4738802 0.76 EGFR (0.98) EGFRERBB2GRM4AURKA
SCHEMBL16471281 0.76 GRM4 (0.57) EGFRERBB2PTK6GRM4MAPT
SCHEMBL4191612 0.75 EGFR (0.52) EGFRERBB2
SCHEMBL4714696 0.75 BCL6 (0.50) EGFRAURKASLKMAPTBLM
SCHEMBL3321550 0.74 EGFR (0.46) EGFRERBB2PTK6GRM4STK10
SCHEMBL3975050 0.74 EGFR (0.62) EGFRERBB2PTK6GRM4STK10

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-2009055299-A1 SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 — — WO disclosed
Send feedback