SCHEMBL23110509

SCHEMBL23110509

CNc1ncc2ccn(-c3ccc(C)cc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 15/20 0.59
▸ RPS6KA3 P51812 4/20 0.47
▸ AURKA O14965 3/20 0.47
▸ DAPK3 O43293 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ PAK4 O96013 2/20 0.47
▸ NTRK1 P04629 2/20 0.47
▸ LCK P06239 2/20 0.47
▸ FYN P06241 2/20 0.47
▸ CSF1R P07333 2/20 0.47
▸ RET P07949 2/20 0.47
▸ IGF1R P08069 2/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ PRKACA P17612 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ MAPK8 P45983 2/20 0.47
▸ MAPK9 P45984 2/20 0.47
▸ CLK2 P49760 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ TYRO3 Q06418 2/20 0.47

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
SCHEMBL30684918 0.78 MAPKAPK2 (0.57) PTK2ROCK1
SCHEMBL30542313 0.77 PTK2 (0.61) PTK2FGFR1EGFRSRC
SCHEMBL30219537 0.76 PTK2 (0.48) PTK2RPS6KA3AURKADAPK3JAK2
SCHEMBL28986295 0.76 PTK2 (0.48) PTK2RPS6KA3AURKADAPK3JAK2
SCHEMBL29277206 0.75 AURKA (0.77) RPS6KA3AURKAJAK2KDRJAK3
SCHEMBL12528978 0.75 PTK2 (1.00) PTK2RPS6KA3AURKADAPK3JAK2
SCHEMBL1655458 0.74 PTK2 (0.56) PTK2RPS6KA3AURKADAPK3JAK2
SCHEMBL4283794 0.74 PTK2 (0.59) PTK2RPS6KA3AURKADAPK3JAK2
SCHEMBL31052347 0.73 L3MBTL1 (0.56) FGFR1
SCHEMBL1655016 0.71 STAT6 (0.58) PTK2RPS6KA3AURKAJAK2CSF1R

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-2021050700-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-03-18 — — WO disclosed
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