SCHEMBL29037859

SCHEMBL29037859

C=Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)cc1C(=O)Nc1c(O)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.47
WEE1 P30291 2/20 0.47
JAK3 P52333 2/20 0.46
JAK2 O60674 1/20 0.46
TNK2 Q07912 1/20 0.46
RPS6KA3 P51812 1/20 0.46
SRC P12931 2/20 0.45
FLT3 P36888 1/20 0.45
BRD4 O60885 1/20 0.44
JAK1 P23458 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL29520635 0.83 BRD4 (0.54) JAK3JAK2TNK2SRCFLT3
SCHEMBL29037829 0.81 FGFR3 (0.56) JAK3JAK2SRCBRD4LCK
SCHEMBL29076115 0.71 SIK1 (0.73) JAK3JAK2TNK2BRD4JAK1
SCHEMBL31612120 0.71 SIK1 (0.73) JAK3JAK2TNK2BRD4JAK1
SCHEMBL12322726 0.69 STAT6 (0.58) WEE1JAK3JAK2FLT3JAK1
SCHEMBL31612069 0.69 SIK1 (0.81) TNK2SRCBRD4
SCHEMBL29076110 0.69 SIK1 (0.81) TNK2SRCBRD4
SCHEMBL29037805 0.67 FGFR3 (0.53) WEE1BRD4LCK
SCHEMBL9976505 0.67 F10 (0.79) F10
SCHEMBL4507547 0.67 LCK (0.63) JAK3TNK2SRCBRD4LCK

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-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed