SCHEMBL27744484

SCHEMBL27744484

CCOc1cc2ncc(CCOC=O)c(Nc3cccc(Cl)c3F)c2cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
SCN5A Q14524 3/20 0.49
CSF1R P07333 7/20 0.43
EGFR P00533 8/20 0.41
ERBB2 P04626 1/20 0.36

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
SCHEMBL27765555 0.88 EGFR (0.44) KCNH2SCN5ACSF1REGFRERBB2
SCHEMBL2913777 0.84 KCNH2 (0.58) KCNH2SCN5ACSF1REGFR
SCHEMBL28780724 0.82 KCNH2 (0.49) KCNH2SCN5ACSF1REGFRERBB2
SCHEMBL28776467 0.81 KCNH2 (0.48) KCNH2SCN5ACSF1REGFRERBB2
SCHEMBL28776465 0.80 CSF1R (0.46) KCNH2SCN5ACSF1REGFR
SCHEMBL2913781 0.80 KCNH2 (0.47) KCNH2SCN5ACSF1REGFR
SCHEMBL2904048 0.77 KCNH2 (0.68) KCNH2SCN5ACSF1R
SCHEMBL2910054 0.77 KCNH2 (0.74) KCNH2SCN5ACSF1R
Tert-Butyl Formate SCHEMBL27744637 0.76 KCNH2 (0.63) KCNH2SCN5ACSF1R
SCHEMBL27765594 0.75 KCNH2 (0.51) KCNH2SCN5ACSF1REGFRERBB2

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
CN-101466682-A 4-anilinoquinolina-3-carboxamidas como inhibidores de la quinasa CSF-1R ASTRAZENECA AB (SE) 2009-06-24 CN disclosed