SCHEMBL18291300

SCHEMBL18291300

Cc1ccc(N2CCC(O)C(C)(C)C2)nn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PTGES O14684 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLS O94925 9/20 0.36
OGA O60502 1/20 0.35

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
SCHEMBL18291190 0.85 EGFR (0.37) LMNAHTTNPC1RAB9AKLF5
SCHEMBL20038277 0.85 OGA (0.36) IKBKBLMNAHTTPTGESNPC1
SCHEMBL16472368 0.84 NPC1 (0.39) LMNAHTTPTGESNPC1RAB9A
SCHEMBL20249348 0.82 LCAT (0.36) IKBKBLMNAHTTPTGESNPC1
SCHEMBL16472266 0.81 OGA (0.38) LMNAHTTPTGESNPC1RAB9A
SCHEMBL16587752 0.81 OGA (0.38) LMNAHTTPTGESNPC1RAB9A
SCHEMBL16587775 0.81 OGA (0.33) LMNAHTTPTGESNPC1RAB9A
SCHEMBL9413153 0.78 HTT (0.44) LMNAHTTNPC1RAB9AKLF5
Ethane SCHEMBL5093868 0.77 HTT (0.43) LMNAHTTNPC1RAB9AKLF5
SCHEMBL12595494 0.76 GLS (0.40) LMNAHTTMEN1KMT2ASMN1; 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 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