SCHEMBL5829124

SCHEMBL5829124

COc1cc2c(/N=C(\NCCN)Nc3c(C)cccc3C)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.51
RET P07949 2/20 0.51
KIF5B P33176 2/20 0.51
EGFR P00533 18/20 0.51
FGFR1 P11362 6/20 0.49
FLT1 P17948 6/20 0.49
FLT4 P35916 6/20 0.49
PDGFRB P09619 2/20 0.48
TEK Q02763 2/20 0.48
BMPR1B O00238 1/20 0.48
PLK4 O00444 1/20 0.48
CIT O14578 1/20 0.48
GAK O14976 1/20 0.48
EPHB6 O15197 1/20 0.48
RIPK2 O43353 1/20 0.48
ROCK2 O75116 1/20 0.48
STK10 O94804 1/20 0.48
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
ERBB2 P04626 1/20 0.48

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
SCHEMBL5829126 1.00 KDR (0.51) KDRRETKIF5BEGFRFGFR1
SCHEMBL5828900 0.89 EGFR (0.52) KDRRETKIF5BEGFRFGFR1
SCHEMBL5827933 0.89 EGFR (0.50) KDRRETKIF5BEGFRFGFR1
SCHEMBL5827935 0.89 EGFR (0.50) KDRRETKIF5BEGFRFGFR1
SCHEMBL5828894 0.89 EGFR (0.52) KDRRETKIF5BEGFRFGFR1
SCHEMBL5828489 0.88 EGFR (0.53) KDRRETKIF5BEGFRFGFR1
SCHEMBL5828485 0.88 EGFR (0.53) KDRRETKIF5BEGFRFGFR1
SCHEMBL5827926 0.88 RAF1 (0.47) KDRRETKIF5BEGFRFGFR1
SCHEMBL5827928 0.88 RAF1 (0.47) KDRRETKIF5BEGFRFGFR1
SCHEMBL5828194 0.86 RAF1 (0.48) KDRRETKIF5BEGFRFGFR1

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
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed