SCHEMBL5319652

SCHEMBL5319652

NC(=O)Nc1cccc(C#Cc2cncnc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.44
ERBB2 P04626 3/20 0.44
IKBKB O14920 7/20 0.43
KDR P35968 4/20 0.42
PDGFRB P09619 1/20 0.42
PTPN11 Q06124 1/20 0.42
FGFR3 P22607 2/20 0.40
LCK P06239 1/20 0.40
TEK Q02763 1/20 0.40
CSNK2A1 P68400 1/20 0.38
GRM4 Q14833 1/20 0.38

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
SCHEMBL4717449 0.77 KMT2A (0.53) PDGFRB
SCHEMBL4718840 0.76 MAPK14 (0.54) ERBB2
SCHEMBL4897449 0.76 EGFR (0.41) EGFRERBB2KDRPDGFRB
SCHEMBL3251978 0.73 GRM5 (0.55) EGFRERBB2GRM4
SCHEMBL5373728 0.72 MAPK14 (0.49) ERBB2
SCHEMBL4716464 0.70 PTPN11 (0.52) KDRPDGFRBPTPN11LCKTEK
SCHEMBL20530116 0.70 EGFR (0.61) EGFRIKBKBPTPN11
SCHEMBL4714699 0.68 MEN1 (0.57) KDRLCKTEK
SCHEMBL7133734 0.68 MAPT (0.50) EGFRIKBKBPTPN11
SCHEMBL3580009 0.68 LCK (0.59) EGFRKDRPDGFRBPTPN11LCK

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
EP-1848715-A1 COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-10-31 EP disclosed
WO-2006082404-A1 COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO disclosed