SCHEMBL25716455

SCHEMBL25716455

C=CC(=O)Nc1cc(C)c(-c2ccc3[nH]nc(N)c3c2-c2ccc(Oc3nccc(C)n3)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.39
▸ KDR P35968 4/20 0.37
▸ LCK P06239 2/20 0.37
▸ FYN P06241 2/20 0.37
▸ CSF1R P07333 2/20 0.37
▸ LYN P07948 2/20 0.37
▸ KIT P10721 2/20 0.37
▸ SRC P12931 2/20 0.37
▸ FLT1 P17948 2/20 0.37
▸ FLT4 P35916 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ BLK P51451 2/20 0.37
▸ BTK Q06187 10/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ FGFR4 P22455 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL25716405 0.90 CYP3A4 (0.45) EGFRKDRLCKFYNCSF1R
SCHEMBL25715151 0.89 BTK (0.40) EGFRKDRLCKFYNCSF1R
SCHEMBL25714979 0.87 BTK (0.46) EGFRKDRLCKFYNCSF1R
SCHEMBL25715211 0.87 LCK (0.36) EGFRKDRLCKFYNCSF1R
SCHEMBL25716378 0.87 BTK (0.40) EGFRKDRLCKFYNCSF1R
SCHEMBL25716441 0.85 LCK (0.36) EGFRKDRLCKFYNCSF1R
SCHEMBL25715238 0.82 LCK (0.34) EGFRKDRLCKFYNCSF1R
SCHEMBL25715301 0.80 KDR (0.38) EGFRKDRLCKFYNCSF1R
SCHEMBL25716804 0.80 FGFR1 (0.48) EGFRKDRLCKFYNCSF1R
SCHEMBL25716316 0.79 EPHB4 (0.40) EGFRKDRLCKFYNCSF1R

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
Send feedback