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Sugi Predict / Compounds / SCHEMBL2913777

SCHEMBL2913777

SCHEMBL2913777

CCOC(=O)c1cnc2cc(OCC)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1Nc1cccc(Cl)c1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.58
▸ SCN5A Q14524 3/20 0.58
▸ CSF1R P07333 7/20 0.51
▸ CA2 P00918 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ EGFR P00533 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ TP53 P04637 1/20 0.42

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
SCHEMBL2904048 0.93 KCNH2 (0.68) KCNH2SCN5ACSF1RCA2MAPT
SCHEMBL2905650 0.90 KCNH2 (0.64) KCNH2SCN5ACSF1RCA2MAPT
SCHEMBL2909672 0.90 KCNH2 (0.71) KCNH2SCN5ACSF1RGAA
SCHEMBL2912403 0.89 KCNH2 (0.61) KCNH2SCN5ACSF1RMAPT
SCHEMBL2910808 0.88 KCNH2 (0.60) KCNH2SCN5ACSF1RMAPTGAA
SCHEMBL2907822 0.88 KCNH2 (0.60) KCNH2SCN5ACSF1RMAPTGAA
SCHEMBL2913688 0.88 KCNH2 (0.60) KCNH2SCN5ACSF1RCA2MAPT
SCHEMBL2912768 0.87 CA2 (0.51) KCNH2SCN5ACSF1RCA2MAPT
SCHEMBL2904389 0.87 KCNH2 (0.69) KCNH2SCN5ACSF1RMAPTGAA
SCHEMBL2913393 0.87 CSF1R (0.68) KCNH2SCN5ACSF1RMAPT

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-2010496-B1 4-ANILINOQUINOLINE-3-CARBOXAMIDES AS CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-08-25 — — EP disclosed