SCHEMBL28980988

SCHEMBL28980988

C=CC(=O)Nc1cccc(C)c1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 9/20 0.70
MAP2K1 Q02750 6/20 0.70
MAPK1 P28482 4/20 0.70
SRC P12931 12/20 0.69
FGFR1 P11362 7/20 0.69
HCK P08631 1/20 0.69
BRD4 O60885 3/20 0.63
FLT3 P36888 1/20 0.62

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
SCHEMBL31684790 1.00 MAP3K7 (0.70) MAP3K7MAP2K1MAPK1SRCFGFR1
SCHEMBL22807459 0.93 SRC (0.80) MAP3K7MAP2K1MAPK1SRCFGFR1
SCHEMBL28981021 0.93 SRC (0.67) MAP3K7MAP2K1MAPK1SRCFGFR1
SCHEMBL28980966 0.91 MAP3K7 (0.71) MAP3K7MAP2K1MAPK1SRCFGFR1
SCHEMBL22807490 0.90 SRC (0.83) MAP3K7MAP2K1MAPK1SRCFGFR1
SCHEMBL30905168 0.90 SRC (0.64) MAP3K7MAP2K1MAPK1SRCFGFR1
SCHEMBL28980975 0.90 SRC (0.64) MAP3K7MAP2K1MAPK1SRCFGFR1
SCHEMBL22807446 0.88 SRC (0.90) MAP3K7MAP2K1MAPK1SRCFGFR1
SCHEMBL29549648 0.88 SRC (0.90) MAP3K7MAP2K1MAPK1SRCFGFR1
SCHEMBL28980990 0.87 SRC (0.69) MAP3K7MAP2K1MAPK1SRCFGFR1

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
CN-115894381-A 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof 温州医科大学 2023-04-04 CN claimed
CN-115894381-A 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof 温州医科大学 2023-04-04 CN disclosed