SCHEMBL6855285

SCHEMBL6855285

Cc1ccc2c(c1)c(=O)n(C/C=C/c1cccnc1)c1nnc(N(C)C)n21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
PSD A5PKW4 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HKDC1 Q2TB90 2/20 0.34
PLK1 P53350 2/20 0.34
RAD1 O60671 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CFTR P13569 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL6850200 1.00 KMT2A (0.37) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6999029 0.95 KMT2A (0.34) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6999028 0.95 KMT2A (0.34) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6850090 0.90 KMT2A (0.36) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6850093 0.90 KMT2A (0.36) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6854150 0.90 DHFR (0.42) KMT2AMAPTPLK1ALDH1A1DHFR
SCHEMBL6854144 0.90 DHFR (0.42) KMT2AMAPTPLK1ALDH1A1DHFR
SCHEMBL6856200 0.89 CHRNB2 (0.37) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6855812 0.89 CHRNB2 (0.37) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7004470 0.89 PLK1 (0.36) KMT2AMEN1ALOX15MAPTPLK1

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
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
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 disclosed
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 disclosed