SCHEMBL29458565

SCHEMBL29458565

Cc1cc(Nc2ncc3c(n2)NC(=O)NC3)ccc1N1CCN(C2COC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.49
JAK2 O60674 9/20 0.48
TBK1 Q9UHD2 8/20 0.48
EGFR P00533 3/20 0.46
CSF1R P07333 2/20 0.46
FLT3 P36888 2/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
TNK2 Q07912 3/20 0.45
JAK3 P52333 2/20 0.41
WEE1 P30291 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
TTK P33981 1/20 0.40

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
SCHEMBL29458711 0.88 TNK2 (0.56) JAK2TBK1EGFRCSF1RFLT3
SCHEMBL29458578 0.78 TNK2 (0.56) JAK2EGFRFLT3TNK2JAK3
SCHEMBL29458629 0.78 CCNT1 (0.56) JAK2EGFRFLT3JAK3JAK1
SCHEMBL29458704 0.76 TNK2 (0.61) EGFRFLT3PDGFRBPDGFRAFGFR3
SCHEMBL29458796 0.76 CCNA2 (0.59) EGFR
SCHEMBL17631196 0.75 TBK1 (0.53) PTK2JAK2TBK1FGFR3
SCHEMBL17630254 0.74 TBK1 (0.55) PTK2JAK2TBK1EGFRCSF1R
SCHEMBL29458512 0.69 MAPK7 (0.56) EGFRTNK2TTK
SCHEMBL21204468 0.68 TBK1 (0.82) JAK2TBK1
SCHEMBL20260877 0.67 TBK1 (0.43) PTK2JAK2TBK1EGFRCSF1R

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-109836427-B Pyrimidopyrimidinone compounds and application thereof 暨南大学 2022-04-15 CN claimed
CN-109836427-B Pyrimidopyrimidinone compounds and application thereof 暨南大学 2022-04-15 CN disclosed