SCHEMBL29186554

SCHEMBL29186554

COc1cc(CC(N)=O)cc(Oc2ccnc3ccc(C(F)(F)F)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 1/20 0.50
▸ GAK O14976 3/20 0.45
▸ RIPK2 O43353 2/20 0.45
▸ NLK Q9UBE8 2/20 0.45
▸ STK16 O75716 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ AAK1 Q2M2I8 1/20 0.45
▸ BMP2K Q9NSY1 1/20 0.45
▸ IRAK3 Q9Y616 1/20 0.45
▸ KDR P35968 7/20 0.43
▸ BRAF P15056 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ TNNI3K Q59H18 1/20 0.43
▸ PDGFRA P16234 4/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ DDR1 Q08345 1/20 0.43
▸ FGFR2 P21802 2/20 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
SCHEMBL30702362 1.00 DDR2 (0.50) DDR2GAKRIPK2NLKSTK16
SCHEMBL30702337 0.87 DDR2 (0.64) DDR2KDRPDGFRACSF1RPDGFRB
SCHEMBL30702360 0.87 DDR2 (0.55) DDR2RIPK2EGFRKDRPDGFRA
SCHEMBL29186588 0.85 DDR2 (0.53) DDR2GAKRIPK2NLKKDR
SCHEMBL29186566 0.85 DDR2 (0.53) DDR2KDRPDGFRACSF1RPDGFRB
SCHEMBL30702339 0.85 DDR2 (0.53) DDR2GAKRIPK2NLKSTK16
SCHEMBL30702344 0.85 DDR2 (0.53) DDR2KDRPDGFRACSF1RPDGFRB
SCHEMBL30702367 0.85 DDR2 (0.53) DDR2GAKRIPK2NLKKDR
SCHEMBL30702333 0.83 DDR2 (0.50) DDR2KDRPDGFRAKITABL1
SCHEMBL30702345 0.83 PDGFRA (0.58) KDRPDGFRAPDGFRBFGFR2ABL1

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-117321036-A phenyl-O-quinoline, quinazoline, thienopyridine, thienopyrimidine, pyrrolopyridine, pyrrolopyrimidine compounds having anticancer activity 成都安泰康赛生物科技有限公司 2023-12-29 — — CN disclosed
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