SCHEMBL29623602

SCHEMBL29623602

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCN1CCN(C(=O)[C@@H]2CCC(=O)O2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.69
ERBB2 P04626 5/20 0.69
ERBB3 P21860 3/20 0.69
KIT P10721 2/20 0.69
SRC P12931 2/20 0.69
ERBB4 Q15303 2/20 0.69
KDR P35968 2/20 0.69
BMPR1B O00238 1/20 0.69
CIT O14578 1/20 0.69
MAP2K7 O14733 1/20 0.69
GAK O14976 1/20 0.69
EPHB6 O15197 1/20 0.69
MAP3K7 O43318 1/20 0.69
RIPK2 O43353 1/20 0.69
STK17B O94768 1/20 0.69
STK10 O94804 1/20 0.69
ABL1 P00519 1/20 0.69
LCK P06239 1/20 0.69
FYN P06241 1/20 0.69
YES1 P07947 1/20 0.69

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
SCHEMBL185241 1.00 EGFR (0.69) EGFRERBB2ERBB3KITSRC
SCHEMBL254672 1.00 EGFR (0.69) EGFRERBB2ERBB3KITSRC
SCHEMBL7003786 0.97 EGFR (0.74) EGFRERBB2ERBB3KITSRC
SCHEMBL7568639 0.97 EGFR (0.74) EGFRERBB2ERBB3KITSRC
SCHEMBL7566318 0.96 EGFR (0.72) EGFRERBB2ERBB3KITSRC
SCHEMBL7002822 0.96 EGFR (0.72) EGFRERBB2ERBB3KITSRC
SCHEMBL6904092 0.92 EGFR (0.58) EGFRERBB2ERBB3KITSRC
SCHEMBL6904087 0.89 EGFR (0.55) EGFRERBB2ERBB3KITSRC
SCHEMBL7000193 0.88 EGFR (0.76) EGFRERBB2ERBB3KITSRC
SCHEMBL7006043 0.88 EGFR (0.57) 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