SCHEMBL4091213

SCHEMBL4091213

C[C@H](Nc1nccc(Nc2cc(CCc3cccc(C#N)c3)n[nH]2)n1)c1ccc(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.43
JAK2 O60674 9/20 0.43
NTRK1 P04629 7/20 0.43
CDK2 P24941 3/20 0.43
LCK P06239 2/20 0.43
RET P07949 2/20 0.43
FLT3 P36888 2/20 0.43
AURKB Q96GD4 2/20 0.43
MUSK O15146 1/20 0.43
FGFR3 P22607 1/20 0.43
CCNE1 P24864 1/20 0.43
PTK2B Q14289 1/20 0.43
AURKA O14965 6/20 0.42
GRK6 P43250 4/20 0.42
IGF1R P08069 3/20 0.42
NTRK3 Q16288 2/20 0.42
NTRK2 Q16620 2/20 0.42
FYN P06241 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42

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
SCHEMBL4091209 1.00 JAK3 (0.43) JAK3JAK2NTRK1CDK2LCK
SCHEMBL3985659 0.87 JAK2 (0.51) JAK3JAK2NTRK1LCKRET
SCHEMBL4094616 0.87 JAK2 (0.51) JAK3JAK2NTRK1LCKRET
SCHEMBL4090615 0.86 JAK2 (0.47) JAK3JAK2NTRK1CDK2LCK
SCHEMBL4090625 0.86 JAK2 (0.47) JAK3JAK2NTRK1CDK2LCK
SCHEMBL3985665 0.71 IGF1R (0.47) NTRK1AURKAGRK6IGF1RFGFR1
SCHEMBL4159933 0.70 IGF1R (0.39) NTRK1FLT3IGF1RFGFR1KDR
SCHEMBL4169882 0.68 HTR7 (0.39) NTRK1IGF1RFGFR1KDRKCNH2
SCHEMBL4033236 0.67 IGF1R (0.57) IGF1RFGFR1KDR
Hydrochloric Acid SCHEMBL4173570 0.66 MAPK14 (0.36) NTRK1AURKAGRK6IGF1RFGFR1

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