SCHEMBL8969894

SCHEMBL8969894

Cc1ccc2nc3n(c(=N)c2c1)C1CC2CC(CC3C2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
ACHE P22303 6/20 0.33
ALDH1A1 P00352 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
ELANE P08246 1/20 0.33
RAD52 P43351 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRA2A P08913 1/20 0.33
HTR2C P28335 1/20 0.33
AXL P30530 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
BCHE P06276 4/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33

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
SCHEMBL8969661 0.89 BCHE (0.34) KDM4ELMNASMN1; SMN2ACHEALDH1A1
SCHEMBL8969797 0.85 LRRK2 (0.39) KDM4ELMNAACHEALDH1A1
SCHEMBL8968811 0.82 LRRK2 (0.38) HTR2BHTR6
SCHEMBL8969460 0.77 ACHE (0.42) KDM4EACHEBCHE
SCHEMBL8970437 0.77 MPO (0.36) ACHEBCHE
SCHEMBL8968721 0.73 KDM4E (0.38) KDM4ELMNASMN1; SMN2ALDH1A1HRH4
SCHEMBL8969422 0.73 HRH4 (0.34) ACHEHRH4ELANEBCHEGRIN1
SCHEMBL8969949 0.69 HRH4 (0.32) ALDH1A1HRH4
SCHEMBL8968188 0.69 ACHE (0.32) ACHE
SCHEMBL8968897 0.69 BCHE (0.31) ACHEBCHE

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed