SCHEMBL29694479

SCHEMBL29694479

Fc1ccc(CNc2ccc(F)nc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.51
AURKA O14965 1/20 0.51
ABL1 P00519 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
MET P08581 1/20 0.51
PDGFRB P09619 1/20 0.51
PIM1 P11309 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT3 P36888 1/20 0.51
MAPK8 P45983 1/20 0.51
CDK8 P49336 1/20 0.51
MAP2K1 Q02750 1/20 0.51
MAP4K2 Q12851 1/20 0.51
ROCK1 Q13464 1/20 0.51
NTRK3 Q16288 1/20 0.51
MAPK14 Q16539 1/20 0.51
AURKB Q96GD4 1/20 0.51

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
SCHEMBL28763189 1.00 P4HTM (0.51) P4HTMAURKAABL1NTRK1LCK
SCHEMBL29694478 1.00 P4HTM (0.51) P4HTMAURKAABL1NTRK1LCK
SCHEMBL22278915 0.91 P4HTM (0.62) P4HTMAURKAABL1NTRK1LCK
SCHEMBL22279015 0.77 MAPT (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6348675 0.76 CYP11B1 (0.42) AURKAABL1NTRK1LCKCSF1R
SCHEMBL3635563 0.76 ADRA2A (0.49) P4HTMLMNACYP11B1CYP11B2MAPT
SCHEMBL3636770 0.75 FRK (0.47) P4HTMAURKAABL1NTRK1LCK
SCHEMBL4740818 0.75 AURKA (0.65) P4HTMAURKAABL1NTRK1LCK
SCHEMBL29449999 0.75 KDM4E (0.58) P4HTMAURKAABL1NTRK1LCK
SCHEMBL4738227 0.75 AURKA (0.57) P4HTMAURKAABL1NTRK1LCK

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-114621202-A Pyridine amine compound and preparation method and application thereof 东莞市东阳光农药研发有限公司 2022-06-14 CN disclosed