SCHEMBL1920704

SCHEMBL1920704

CC1(C)CN(CCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCC2CCCO2)CC(=O)O1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(=O)OC(C)(C)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.64
EPHA2 P29317 4/20 0.64
EPHB4 P54760 3/20 0.64
EGFR P00533 16/20 0.63
ERBB2 P04626 2/20 0.58
CIT O14578 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
ABCC4 O15439 1/20 0.58
DAPK3 O43293 1/20 0.58
RIPK2 O43353 1/20 0.58
NR1I2 O75469 1/20 0.58
RPS6KA4 O75676 1/20 0.58
STK17B O94768 1/20 0.58
STK10 O94804 1/20 0.58
PRKD3 O94806 1/20 0.58
ABCB11 O95342 1/20 0.58
MAP4K4 O95819 1/20 0.58
CHEK2 O96017 1/20 0.58
ABL1 P00519 1/20 0.58

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
SCHEMBL1920705 1.00 KDR (0.64) KDREPHA2EPHB4EGFRERBB2
SCHEMBL29623444 0.97 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL29623447 0.97 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL186044 0.97 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL185763 0.97 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL232029 0.97 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL29623758 0.97 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL185292 0.97 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL210419 0.97 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL7226582 0.94 EGFR (0.59) KDREPHA2EPHB4EGFRERBB2

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
EP-2326374-A1 INHALER Boehringer Ingelheim International GmbH (DE) 2011-06-01 EP disclosed