SCHEMBL28576964

SCHEMBL28576964

CCNC(N)=O.Cn1cc(-c2ccc(-c3ccccn3)nc2C2OCCO2)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ EGFR P00533 4/20 0.36
▸ GRM2 Q14416 3/20 0.36
▸ MET P08581 2/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ ACVR1B P36896 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ PIK3CD O00329 1/20 0.33

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
SCHEMBL19923138 0.74 MAPK1 (0.37) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL19923177 0.71 CHEK1 (0.38) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL18095757 0.70 GRM2 (0.35) GRM2PIM1PIM2WNT1GSK3B
SCHEMBL29504545 0.68 IRAK4 (0.50) PIK3CAGRM2METIRAK4ACVR1B
Hydrochloric Acid SCHEMBL29504483 0.67 IRAK4 (0.49) PIK3CAGRM2METIRAK4ACVR1B
SCHEMBL19923122 0.67 FYN (0.41) METIRAK4WNT1GSK3BDYRK1A
SCHEMBL19923211 0.67 CCNC (0.38) GRM2METWNT1GSK3BDYRK1A
SCHEMBL19923209 0.67 GRM2 (0.37) GRM2METPIM1PIM2WNT1
SCHEMBL19923241 0.65 CHEK1 (0.36) PIK3CAIRAK4PIK3CD
SCHEMBL19923205 0.65 MAPT (0.36) PIK3CD

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
CN-107667092-B Formylated N-heterocyclic derivatives as FGFR4 inhibitors 诺华股份有限公司 2021-05-28 — — CN disclosed
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