SCHEMBL29623481

SCHEMBL29623481

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCN1CC(=O)O[C@@H](C)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.71
ERBB2 P04626 7/20 0.71
ERBB3 P21860 3/20 0.71
KIT P10721 2/20 0.71
SRC P12931 2/20 0.71
ERBB4 Q15303 2/20 0.71
KDR P35968 2/20 0.71
BMPR1B O00238 1/20 0.71
CIT O14578 1/20 0.71
MAP2K7 O14733 1/20 0.71
GAK O14976 1/20 0.71
EPHB6 O15197 1/20 0.71
MAP3K7 O43318 1/20 0.71
RIPK2 O43353 1/20 0.71
STK17B O94768 1/20 0.71
STK10 O94804 1/20 0.71
ABL1 P00519 1/20 0.71
LCK P06239 1/20 0.71
FYN P06241 1/20 0.71
YES1 P07947 1/20 0.71

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
SCHEMBL185130 1.00 EGFR (0.71) EGFRERBB2ERBB3KITSRC
SCHEMBL223404 1.00 EGFR (0.71) EGFRERBB2ERBB3KITSRC
SCHEMBL29623401 1.00 EGFR (0.71) EGFRERBB2ERBB3KITSRC
SCHEMBL185772 1.00 EGFR (0.71) EGFRERBB2ERBB3KITSRC
SCHEMBL7690589 0.98 EGFR (0.74) EGFRERBB2ERBB3KITSRC
SCHEMBL6991337 0.98 EGFR (0.74) EGFRERBB2ERBB3KITSRC
SCHEMBL6990267 0.98 EGFR (0.74) EGFRERBB2ERBB3KITSRC
SCHEMBL524139 0.96 EGFR (0.70) EGFRERBB2ERBB3KITSRC
SCHEMBL6987285 0.96 EGFR (0.70) EGFRERBB2ERBB3KITSRC
SCHEMBL185564 0.96 EGFR (0.70) EGFRERBB2ERBB3KITSRC

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