SCHEMBL4778541

SCHEMBL4778541

Cn1cnc(CCNc2cc[nH]c(=O)c2-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 19/20 0.55
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL4780633 0.80 AURKA (0.49) IGF1RAURKAAURKBALK
SCHEMBL4778719 0.77 VCP (0.46) IGF1RAURKAAURKBALKCYP3A4
SCHEMBL4780844 0.76 KDM4E (0.47) IGF1RAURKAAURKBALK
SCHEMBL4793118 0.76 KDM4E (0.51) IGF1RAURKAAURKBALKCYP3A4
SCHEMBL4792622 0.75 KDM4E (0.49) —
SCHEMBL4782903 0.74 VCP (0.49) IGF1RAURKAAURKBALK
SCHEMBL4782147 0.73 IGF1R (0.49) IGF1RAURKACYP3A4CYP2D6CYP2C19
SCHEMBL4795408 0.71 AURKA (0.49) IGF1RAURKAAURKBALK
SCHEMBL4796341 0.69 AURKA (0.45) IGF1RAURKAAURKBALK
SCHEMBL4780825 0.69 AURKA (0.45) IGF1RAURKAAURKBALK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008025526-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 — — WO claimed
WO-2008025526-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 — — WO disclosed
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