SCHEMBL10143471

SCHEMBL10143471

COc1ccc(Nc2nc(Nc3cc(C)ccc3C)cc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 13/20 0.70
▸ GALR1 P47211 4/20 0.65
▸ AURKA O14965 1/20 0.49
▸ MAPT P10636 1/20 0.46
▸ CCND3 P30281 2/20 0.46
▸ CCNK O75909 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RET P07949 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CCND2 P30279 1/20 0.44

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
SCHEMBL10143476 0.97 GALR2 (0.71) GALR2GALR1AURKAMAPTCCND3
SCHEMBL10143663 0.87 GALR2 (0.51) GALR2GALR1MAPTCCND3CCNK
SCHEMBL10143391 0.83 GALR2 (1.00) GALR2GALR1AURKA
SCHEMBL10143741 0.82 GALR2 (0.79) GALR2GALR1AURKA
SCHEMBL10143662 0.81 GALR2 (0.82) GALR2GALR1AURKA
SCHEMBL10143469 0.81 GALR2 (0.82) GALR2GALR1AURKA
SCHEMBL10143436 0.81 GALR2 (0.64) GALR2GALR1AURKAMAPTCCND3
SCHEMBL10143487 0.81 GALR2 (0.82) GALR2GALR1AURKA
SCHEMBL10143620 0.81 GALR2 (0.78) GALR2GALR1AURKA
SCHEMBL10143455 0.81 GALR2 (0.80) GALR2GALR1AURKAMAPT

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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