SCHEMBL29623672

SCHEMBL29623672

CN[C@H]1CC[C@@H](Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.78
KDR P35968 4/20 0.73
EPHB4 P54760 4/20 0.73
ERBB2 P04626 3/20 0.73
FBP1 P09467 2/20 0.73
AURKA O14965 1/20 0.73
INSR P06213 1/20 0.73
PDGFRB P09619 1/20 0.73
FLT4 P35916 1/20 0.73
CLK1 P49759 1/20 0.73
TEK Q02763 1/20 0.73
AURKB Q96GD4 1/20 0.73
EPHA2 P29317 3/20 0.69
FLT1 P17948 1/20 0.62

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
SCHEMBL29623530 1.00 EGFR (0.78) EGFRKDREPHB4ERBB2FBP1
SCHEMBL169705 1.00 EGFR (0.78) EGFRKDREPHB4ERBB2FBP1
SCHEMBL185506 1.00 EGFR (0.78) EGFRKDREPHB4ERBB2FBP1
SCHEMBL209251 1.00 EGFR (0.78) EGFRKDREPHB4ERBB2FBP1
Hydrochloric Acid SCHEMBL1446448 0.99 EGFR (0.77) EGFRKDREPHB4ERBB2FBP1
Hydrochloric Acid SCHEMBL669393 0.99 EGFR (0.77) EGFRKDREPHB4ERBB2FBP1
Hydrochloric Acid SCHEMBL1446712 0.99 EGFR (0.77) EGFRKDREPHB4ERBB2FBP1
SCHEMBL12743386 0.91 EGFR (0.74) EGFRKDREPHB4ERBB2FBP1
SCHEMBL10068622 0.90 EGFR (0.63) EGFRKDREPHB4ERBB2FBP1
SCHEMBL121215 0.90 EGFR (0.79) EGFRKDREPHB4ERBB2FBP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed