SCHEMBL25715071

SCHEMBL25715071

C=CC(=O)Nc1ccc(-c2ccc3[nH]nc(N)c3c2-c2ccc(Oc3cccc(C)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.49
▸ KIT P10721 14/20 0.45
▸ FLT3 P36888 13/20 0.45
▸ KDR P35968 13/20 0.45
▸ CSF1R P07333 6/20 0.43
▸ FLT1 P17948 6/20 0.43
▸ FLT4 P35916 6/20 0.43
▸ LCK P06239 5/20 0.43
▸ PLK4 O00444 3/20 0.43
▸ AURKA O14965 3/20 0.43
▸ ROCK2 O75116 3/20 0.43
▸ INSR P06213 3/20 0.43
▸ MET P08581 3/20 0.43
▸ FGFR1 P11362 3/20 0.43
▸ PRKACA P17612 3/20 0.43
▸ RPS6KB1 P23443 3/20 0.43
▸ CSNK1D P48730 3/20 0.43
▸ STK3 Q13188 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ NTRK2 Q16620 3/20 0.43

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
SCHEMBL25716316 0.90 EPHB4 (0.40) BTKKITFLT3KDRCSF1R
SCHEMBL25716849 0.88 KIT (0.44) KITFLT3KDRCSF1RFLT1
SCHEMBL25718339 0.88 KDR (0.44) BTKKITFLT3KDRCSF1R
SCHEMBL25714979 0.86 BTK (0.46) BTKKITFLT3KDRCSF1R
SCHEMBL25715151 0.85 BTK (0.40) BTKKITFLT3KDRCSF1R
SCHEMBL25715122 0.84 BTK (0.49) BTKKITFLT3KDRCSF1R
SCHEMBL25715020 0.83 FLT3 (0.43) BTKKITFLT3KDRCSF1R
SCHEMBL22676740 0.80 BTK (0.49) BTKEGFRKCNH2MAP2K7
SCHEMBL30303325 0.80 BTK (0.49) BTKEGFRKCNH2MAP2K7
SCHEMBL25715068 0.80 BTK (0.41) BTKFLT3KDREGFRKCNH2

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-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
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