SCHEMBL18291301

SCHEMBL18291301

Cc1ccc(N2CC(C)(CO)C2)nn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.34
OGA O60502 1/20 0.34
NR1I2 O75469 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20038272 0.82 OGA (0.35) SOS1OGA
SCHEMBL20255385 0.80 PANK3 (0.36) SOS1OGA
SCHEMBL20249355 0.80 SOS1 (0.33) SOS1
SCHEMBL20037729 0.80 BPTF (0.35) SOS1SMN1; SMN2
SCHEMBL18291652 0.72 OGA (0.33) OGANR1I2ALDH1A1HTTSMN1; SMN2
SCHEMBL18291286 0.71 TLR9 (0.35) OGANR1I2ALDH1A1HTTSMN1; SMN2
SCHEMBL18291295 0.71 NR1I2 (0.46) OGANR1I2
SCHEMBL18291300 0.71 IKBKB (0.36) OGAHTTSMN1; SMN2
SCHEMBL18291666 0.70 CHRNB2 (0.37) OGANR1I2ALDH1A1HTTSMN1; SMN2
SCHEMBL9195108 0.70 PDE10A (0.44) OGANR1I2HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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