SCHEMBL4090625

SCHEMBL4090625

CC(Nc1nccc(Nc2cc(CCc3cccnc3)n[nH]2)n1)c1ccc(F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.47
JAK3 P52333 8/20 0.47
NTRK1 P04629 10/20 0.45
AURKA O14965 5/20 0.45
IGF1R P08069 3/20 0.45
NTRK3 Q16288 2/20 0.45
NTRK2 Q16620 2/20 0.45
LCK P06239 2/20 0.45
RET P07949 2/20 0.45
FLT3 P36888 2/20 0.45
FYN P06241 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CLK2 P49760 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CDK5 Q00535 1/20 0.45

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
SCHEMBL4090615 1.00 JAK2 (0.47) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL4094616 0.87 JAK2 (0.51) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL3985659 0.87 JAK2 (0.51) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL4091213 0.86 JAK3 (0.43) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL4091209 0.86 JAK3 (0.43) JAK2JAK3NTRK1AURKAIGF1R
SCHEMBL4159933 0.83 IGF1R (0.39) NTRK1IGF1RFLT3FGFR1KDR
SCHEMBL5103722 0.73 IGF1R (0.63) NTRK1IGF1RNTRK2FGFR1KDR
SCHEMBL3985665 0.70 IGF1R (0.47) NTRK1AURKAIGF1RFGFR1KDR
SCHEMBL4169882 0.70 HTR7 (0.39) NTRK1IGF1RFGFR1KDRKCNH2
SCHEMBL4158014 0.70 IGF1R (0.39) NTRK1IGF1RFGFR1KDRYES1

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-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed