SCHEMBL3950465

SCHEMBL3950465

COc1cc(Nc2cc(Cl)nc(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.53
AURKA O14965 6/20 0.53
GRK6 P43250 4/20 0.53
IGF1R P08069 4/20 0.53
GRK4 P32298 1/20 0.53
GRK5 P34947 1/20 0.53
GRK1 Q15835 1/20 0.53
GRK7 Q8WTQ7 1/20 0.53
JAK2 O60674 10/20 0.52
JAK3 P52333 10/20 0.52
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
LCK P06239 2/20 0.48
RET P07949 2/20 0.48
FLT3 P36888 2/20 0.48
FYN P06241 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
LTK P29376 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL588686 0.87 JAK3 (0.68) NTRK1AURKAGRK6IGF1RJAK2
SCHEMBL220676 0.87 JAK2 (0.55) NTRK1AURKAGRK6JAK2JAK3
SCHEMBL13904391 0.87 JAK2 (0.50) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL3034183 0.86 NTRK1 (0.71) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL13904424 0.84 JAK2 (0.50) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL13904301 0.84 JAK2 (0.48) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL13904289 0.84 JAK2 (0.48) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL3952476 0.84 AURKA (0.53) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL4005488 0.83 JAK2 (0.47) NTRK1AURKAGRK6IGF1RGRK4
SCHEMBL13904425 0.82 JAK2 (0.48) NTRK1AURKAGRK6IGF1RGRK4

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
WO-2009027736-A2 2,4 DIAMINOPYRIMID'LNES FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS AND CANCER ASTRAZENECA AB (SE) 2009-03-05 WO disclosed