Sugi Predict

Sugi Predict / Compounds / SCHEMBL5084882

SCHEMBL5084882

SCHEMBL5084882

NC(=O)C1CCC(c2ncc3c(N)nc(-c4ccc5ccc(Oc6ccccc6)nc5c4)cn23)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.48
▸ TNK2 Q07912 14/20 0.47
▸ CYP3A4 P08684 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5086253 0.91 TNK2 (0.50) IGF1RTNK2
SCHEMBL5086140 0.88 TNK2 (0.45) IGF1RTNK2
SCHEMBL5081252 0.88 TNK2 (0.42) IGF1RTNK2
SCHEMBL5081320 0.86 TNK2 (0.44) IGF1RTNK2CYP3A4
SCHEMBL5080636 0.84 IGF1R (0.48) IGF1RTNK2CYP3A4
SCHEMBL3040790 0.82 IGF1R (0.51) IGF1RTNK2CYP3A4NPC1RAB9A
SCHEMBL5079162 0.81 IGF1R (0.50) IGF1RTNK2CYP3A4NPC1RAB9A
SCHEMBL4073244 0.80 IGF1R (0.51) IGF1RTNK2CYP3A4
SCHEMBL400088 0.77 TNK2 (0.77) IGF1RTNK2CYP3A4
SCHEMBL5083298 0.76 IGF1R (0.40) IGF1RTNK2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 — — EP disclosed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 — — WO disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 — — WO disclosed