SCHEMBL28705227

SCHEMBL28705227

Fc1cnc(Cl)nc1-c1cnc2ccc(Br)cn12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.47
MTOR P42345 4/20 0.47
MAP3K14 Q99558 1/20 0.47
FLT3 P36888 7/20 0.42
NRAS P01111 1/20 0.42
EIF2AK4 Q9P2K8 2/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK10 P53779 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29544366 1.00 PIK3CA (0.47) PIK3CAMTORMAP3K14FLT3NRAS
SCHEMBL3310129 0.86 FLT3 (0.43) PIK3CAMTORFLT3NRASEIF2AK4
SCHEMBL22228874 0.86 MAP3K14 (0.49) PIK3CAMTORMAP3K14FLT3NRAS
SCHEMBL22228697 0.84 FLT3 (0.44) PIK3CAMTORFLT3NRASEIF2AK4
SCHEMBL20455512 0.84 MAP3K14 (0.47) PIK3CAMTORMAP3K14FLT3NRAS
SCHEMBL20455687 0.82 EIF2AK4 (0.52) FLT3NRASEIF2AK4
SCHEMBL20455535 0.81 FLT3 (0.44) PIK3CAMTORFLT3NRASMAPT
SCHEMBL700990 0.78 FLT3 (0.52) PIK3CAMTORFLT3MAPT
SCHEMBL20455515 0.78 FLT3 (0.40) FLT3NRASEIF2AK4GAAMAPT
SCHEMBL3315522 0.75 IGF1R (0.44) PIK3CAMTORMAP3K14FLT3NRAS

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-114269742-A Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amines as therapeutic agents 常州千红生化制药股份有限公司 2022-04-01 CN disclosed