SCHEMBL10207756

SCHEMBL10207756

COc1cc(N2CCC(N3CCCC3)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.89
ALK Q9UM73 7/20 0.82
IGF1R P08069 7/20 0.60
INSR P06213 6/20 0.60
KCNH2 Q12809 1/20 0.55

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
SCHEMBL517813 0.94 EGFR (0.86) EGFRALKIGF1RINSRKCNH2
SCHEMBL30341887 0.94 EGFR (1.00) EGFRALKIGF1RINSR
SCHEMBL517288 0.94 EGFR (1.00) EGFRALKIGF1RINSR
SCHEMBL517278 0.92 EGFR (0.85) EGFRALKIGF1RINSR
SCHEMBL517458 0.91 EGFR (0.82) EGFRALKIGF1RINSRKCNH2
SCHEMBL518078 0.91 EGFR (0.83) EGFRALKIGF1RINSR
SCHEMBL517382 0.91 EGFR (0.81) EGFRALKIGF1RINSRKCNH2
SCHEMBL574464 0.91 EGFR (0.81) EGFRALKIGF1RINSRKCNH2
SCHEMBL29355191 0.90 ALK (1.00) EGFRALKIGF1RKCNH2
SCHEMBL517412 0.90 ALK (1.00) EGFRALKIGF1RKCNH2

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
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed