SCHEMBL1429170

SCHEMBL1429170

COc1ccc2c(c1)c(C=C1Oc3cc(N(C(=O)O)C(C)(C)C)ccc3C1=O)cn2CCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.61
MTOR P42345 6/20 0.61
PIK3CG P48736 6/20 0.61
INPPL1 O15357 1/20 0.52
ABCC2 Q92887 2/20 0.50
MAOB P27338 3/20 0.47
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43

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
SCHEMBL1430944 1.00 PIK3CA (0.61) PIK3CAMTORPIK3CGINPPL1ABCC2
SCHEMBL1428344 0.91 PIK3CA (0.65) PIK3CAMTORPIK3CGINPPL1ABCC2
SCHEMBL1430684 0.91 PIK3CA (0.65) PIK3CAMTORPIK3CGINPPL1ABCC2
SCHEMBL4322386 0.85 PIK3CA (0.64) PIK3CAMTORPIK3CGINPPL1ABCC2
SCHEMBL4283598 0.85 PIK3CA (0.64) PIK3CAMTORPIK3CGINPPL1ABCC2
SCHEMBL3227843 0.85 PIK3CA (0.77) PIK3CAMTORPIK3CGINPPL1ABCC2
SCHEMBL1429366 0.85 PIK3CA (0.77) PIK3CAMTORPIK3CGINPPL1ABCC2
SCHEMBL8077258 0.85 PIK3CA (0.69) PIK3CAMTORPIK3CGINPPL1ABCC2
SCHEMBL1429224 0.85 PIK3CA (0.65) PIK3CAMTORPIK3CGINPPL1ABCC2
SCHEMBL1430215 0.84 PIK3CA (0.68) PIK3CAMTORPIK3CGINPPL1ABCC2

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
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP claimed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed