Sugi Predict

Sugi Predict / Compounds / SCHEMBL5396012

SCHEMBL5396012

SCHEMBL5396012

Cn1c(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ P2RY1 P47900 18/20 0.55
▸ MAPT P10636 1/20 0.52

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
SCHEMBL1306980 0.89 P2RY1 (0.53) P2RY1
SCHEMBL1307739 0.89 P2RY1 (0.53) P2RY1
SCHEMBL15704062 0.84 P2RY1 (0.54) P2RY1
SCHEMBL15704175 0.82 P2RY1 (0.54) P2RY1
SCHEMBL3558726 0.77 P2RY1 (0.70) P2RY1
SCHEMBL1308106 0.76 P2RY1 (0.67) P2RY1
SCHEMBL1307103 0.76 P2RY1 (0.48) P2RY1
SCHEMBL15704104 0.76 P2RY1 (0.51) P2RY1
SCHEMBL1307389 0.76 P2RY1 (0.66) P2RY1
SCHEMBL1308272 0.76 NPC1 (0.56) TP53NPC1LMNARAB9ASMN1; SMN2

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
JP-2007518809-A — — 2007-07-12 — — JP claimed
EP-1706398-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2006-10-04 — — EP claimed
WO-2005070920-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-04 — — WO claimed