SCHEMBL6854846

SCHEMBL6854846

CCN(CC)CCn1c(=O)c2cc(Br)ccc2n2c(N3CCCC3)nnc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PLK1 P53350 3/20 0.38
ALDH1A1 P00352 4/20 0.36
MPO P05164 1/20 0.35
TSHR P16473 4/20 0.35
LMNA P02545 1/20 0.35
EGFR P00533 2/20 0.35
TOP2A P11388 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PARG Q86W56 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL6850094 0.87 ALDH1A1 (0.43) SMN1; SMN2PLK1ALDH1A1TSHRLMNA
SCHEMBL6855741 0.85 PLK1 (0.41) SMN1; SMN2PLK1ALDH1A1TSHRLMNA
SCHEMBL6856584 0.82 TSHR (0.38) SMN1; SMN2PLK1ALDH1A1TSHRLMNA
SCHEMBL6855310 0.81 PLK1 (0.37) PLK1ALDH1A1TSHRLMNAMEN1
SCHEMBL6850264 0.80 PLK1 (0.36) SMN1; SMN2PLK1ALDH1A1TSHRLMNA
SCHEMBL6854439 0.79 MAPT (0.51) PLK1ALDH1A1TSHRLMNAMAPK1
SCHEMBL6854967 0.79 PLK1 (0.37) SMN1; SMN2PLK1ALDH1A1TSHRLMNA
SCHEMBL6854093 0.79 TSHR (0.44) SMN1; SMN2PLK1ALDH1A1TSHRLMNA
SCHEMBL6854112 0.79 PLK1 (0.43) SMN1; SMN2PLK1ALDH1A1TSHRLMNA
SCHEMBL6854138 0.79 MAPK8 (0.42) PLK1TSHRLMNACYP3A4PARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP claimed
JP-2002543199-A 2002-12-17 JP claimed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP claimed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed