SCHEMBL18291340

SCHEMBL18291340

CC(C)(C)[Si](C)(C)OCCN1CCN(C(=O)c2ccc(N)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.47
MTOR P42345 3/20 0.47
DRD3 P35462 10/20 0.46
DRD2 P14416 8/20 0.46
KCNA5 P22460 6/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20037567 0.78 HRH3 (0.41) PIK3CAMTORMEN1KMT2A
SCHEMBL18291605 0.78 PIK3CA (0.41) PIK3CAMTOR
SCHEMBL18822758 0.77 HRH3 (0.54) PIK3CAMTOR
SCHEMBL29414467 0.77 HRH3 (0.54) PIK3CAMTOR
SCHEMBL20255126 0.76 PIK3CA (0.34) PIK3CAMTORDRD3DRD2MEN1
SCHEMBL29414456 0.76 GRM5 (0.56) MTORMEN1KMT2A
SCHEMBL107791 0.76 GRM5 (0.56) MTORMEN1KMT2A
SCHEMBL18291471 0.75 HTR2A (0.35) PIK3CAMTORDRD3MEN1KMT2A
SCHEMBL1990029 0.74 KMT2A (0.57) MEN1KMT2A
SCHEMBL20255387 0.74 GCKR (0.33) PIK3CAMTOR

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-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed