SCHEMBL574836

SCHEMBL574836

CN1CCN(c2ccc([NH])cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
GAA P10253 3/20 0.63
KDM4E B2RXH2 3/20 0.63
ADRA2C P18825 3/20 0.63
ALDH1A1 P00352 2/20 0.63
PTK2B Q14289 2/20 0.63
KMT2A Q03164 2/20 0.63
GFER P55789 1/20 0.63
ESR2 Q92731 1/20 0.63
SIRT6 Q8N6T7 1/20 0.53
CHKA P35790 1/20 0.50
HTR3A P46098 1/20 0.50
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL21204496 0.82 MAPT (0.63) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL2236309 0.82 L3MBTL3 (0.53) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL15489560 0.79 MAPT (0.65) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL81814 0.79 MAPT (0.65) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL14922321 0.77 ALDH1A1 (0.63) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL1375430 0.77 LMNA (0.73) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL666629 0.77 MAPT (0.63) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL56547 0.77 MAPT (1.00) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL19402 0.77 ALDH1A1 (0.63) MAPTGAAKDM4EADRA2CALDH1A1
SCHEMBL6414948 0.77 MAPT (1.00) MAPTGAAKDM4EADRA2CALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600719-A1 2-SUBSTITUTED-8-ALKYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBONITRILES AND USES THEREOF Temple University - Of The Commonwealth System of Higher Education (US) 2013-06-12 EP claimed
WO-2012018540-A1 2-SUBSTITUTED-8-ALKYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D] PYRIMIDINE-6-CARBONITRILES AND USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-02-09 WO claimed
EP-2600719-A1 2-SUBSTITUTED-8-ALKYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBONITRILES AND USES THEREOF Temple University - Of The Commonwealth System of Higher Education (US) 2013-06-12 EP disclosed
WO-2012018540-A1 2-SUBSTITUTED-8-ALKYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D] PYRIMIDINE-6-CARBONITRILES AND USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-02-09 WO disclosed