SCHEMBL28980975

SCHEMBL28980975

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.64
FGFR1 P11362 7/20 0.64
HCK P08631 1/20 0.64
EGFR P00533 2/20 0.64
MAP3K7 O43318 9/20 0.63
MAP2K1 Q02750 6/20 0.63
MAPK1 P28482 4/20 0.63
PTK2 Q05397 1/20 0.57
FLT3 P36888 1/20 0.57

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
SCHEMBL30905168 1.00 SRC (0.64) SRCFGFR1HCKEGFRMAP3K7
SCHEMBL31684790 0.90 MAP3K7 (0.70) SRCFGFR1HCKMAP3K7MAP2K1
SCHEMBL28980988 0.90 MAP3K7 (0.70) SRCFGFR1HCKMAP3K7MAP2K1
SCHEMBL28981021 0.90 SRC (0.67) SRCFGFR1HCKMAP3K7MAP2K1
SCHEMBL31684769 0.90 SRC (0.78) SRCFGFR1HCKEGFRMAP3K7
SCHEMBL28980989 0.90 SRC (0.78) SRCFGFR1HCKEGFRMAP3K7
SCHEMBL22807459 0.89 SRC (0.80) SRCFGFR1HCKEGFRMAP3K7
SCHEMBL28980966 0.87 MAP3K7 (0.71) SRCFGFR1HCKMAP3K7MAP2K1
SCHEMBL17002254 0.85 EGFR (0.85) SRCEGFRPTK2
SCHEMBL22807446 0.83 SRC (0.90) SRCFGFR1HCKMAP3K7MAP2K1

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