SCHEMBL28024022

SCHEMBL28024022

Cc1cc(Nc2cc(Cl)nc(Nc3ccc(C(=O)O)c(Cl)c3)n2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 19/20 0.58
▸ AURKB Q96GD4 8/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ CSF1R P07333 1/20 0.52
▸ RET P07949 1/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ FLT1 P17948 1/20 0.52
▸ LTK P29376 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52

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
SCHEMBL28024443 0.83 AURKA (0.84) AURKAAURKBRIPK1
SCHEMBL27995814 0.75 AURKA (0.50) AURKAAURKBGSK3BDAPK3JAK2
SCHEMBL4167474 0.74 JAK2 (0.43) AURKAAURKBGSK3BJAK2JAK3
SCHEMBL22917367 0.73 IGF1R (0.60) AURKAAURKBGSK3BDAPK3JAK2
SCHEMBL12430944 0.71 AURKA (0.65) AURKAAURKBIGF1RPIK3C3
SCHEMBL220647 0.69 PAK4 (0.57) AURKAAURKBGSK3BDAPK3JAK2
SCHEMBL21635755 0.68 AURKA (0.60) AURKAGSK3BPAK4IGF1RSRC
SCHEMBL12510417 0.68 IGF1R (0.55) AURKAAURKBGSK3BIGF1RPIK3C3
SCHEMBL12430951 0.68 AURKA (0.63) AURKAAURKBGSK3BDAPK3JAK2
SCHEMBL12102888 0.68 GSK3B (0.50) AURKAAURKBGSK3BDAPK3JAK2

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-104693188-A Pyrimidine compound and synthesis method and application thereof LIU QIANG 2015-06-10 — — CN disclosed
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