SCHEMBL25715151

SCHEMBL25715151

C=CC(=O)Nc1cc(C)c(-c2ccc3[nH]nc(N)c3c2-c2ccc(Oc3cccc(C)n3)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.40
▸ EGFR P00533 6/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KDR P35968 7/20 0.37
▸ KIT P10721 6/20 0.37
▸ FLT3 P36888 6/20 0.37
▸ LCK P06239 4/20 0.37
▸ CSF1R P07333 4/20 0.37
▸ FLT1 P17948 4/20 0.37
▸ FLT4 P35916 4/20 0.37
▸ FYN P06241 3/20 0.37
▸ LYN P07948 3/20 0.37
▸ SRC P12931 3/20 0.37
▸ BLK P51451 3/20 0.37
▸ EPHB4 P54760 1/20 0.35
▸ MAP2K7 O14733 1/20 0.35
▸ CDK19 Q9BWU1 2/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DYRK3 O43781 1/20 0.34

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 0.91 EPHB4 (0.40) BTKEGFRKCNH2KDRKIT
SCHEMBL25716378 0.90 BTK (0.40) BTKEGFRKCNH2KDRKIT
SCHEMBL25715301 0.89 KDR (0.38) BTKEGFRKDRKITFLT3
SCHEMBL25716455 0.89 EGFR (0.39) BTKEGFRKCNH2KDRKIT
SCHEMBL25716441 0.88 LCK (0.36) BTKEGFRKCNH2KDRKIT
SCHEMBL25715149 0.87 MAPK1 (0.36) BTKEGFRKCNH2SRCMAP2K7
SCHEMBL25715211 0.86 LCK (0.36) BTKEGFRKCNH2KDRKIT
SCHEMBL25715071 0.85 BTK (0.49) BTKEGFRKCNH2KDRKIT
SCHEMBL25715401 0.84 BTK (0.36) BTKEGFRKCNH2ABL1
SCHEMBL25718339 0.83 KDR (0.44) BTKEGFRKDRKITFLT3

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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