SCHEMBL21167797

SCHEMBL21167797

COCCn1cc(-c2ccc(N)c(N(N)Cc3c[nH]c4ncccc34)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.43
FEN1 P39748 1/20 0.37
CDK2 P24941 6/20 0.37
CCNE1 P24864 4/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
PIM1 P11309 3/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36
CDC7 O00311 3/20 0.35
ROCK2 O75116 2/20 0.35
PRKACA P17612 2/20 0.35
GSK3B P49841 2/20 0.35
HIPK2 Q9H2X6 2/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
IKBKE Q14164 3/20 0.35
TBK1 Q9UHD2 3/20 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
SCHEMBL21167574 0.89 MET (0.55) METFEN1CDK2CCNE1CYP3A4
SCHEMBL22475696 0.83 MET (0.44) METFEN1CDK2CCNE1CDK1
SCHEMBL24591093 0.78 FGFR1 (0.53) ROCK2MAP4K4CLK4CYP3A4PDPK1
SCHEMBL24591038 0.78 MET (0.44) MET
SCHEMBL21167357 0.78 MET (0.47) METPIM1PIK3CAPIK3CDIRAK4
SCHEMBL12487609 0.75 MET (0.63) METCDK2CCNE1
SCHEMBL12487758 0.75 MET (0.56) METCDK2CCNE1JAK2JAK1
SCHEMBL21167489 0.75 MET (0.40) METFEN1JAK2JAK1TYK2
SCHEMBL21167698 0.74 MTNR1A (0.42) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL21167399 0.74 MET (0.47) METFEN1PIK3CAPDPK1JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
EP-3511330-B1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2020-09-30 EP disclosed
EP-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed