SCHEMBL6850186

SCHEMBL6850186

O=c1c2cc(Br)ccc2n2c(N3CCSCC3)nnc2n1CC=Cc1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 2/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
PLK1 P53350 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HKDC1 Q2TB90 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
RAD1 O60671 1/20 0.32
CFTR P13569 1/20 0.32
APEX1 P27695 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL6996082 1.00 KMT2A (0.33) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL6854475 0.93 KMT2A (0.34) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL6854470 0.93 KMT2A (0.34) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL6856429 0.92 KMT2A (0.34) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL6856434 0.92 KMT2A (0.34) KMT2ACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL6853953 0.90 MAPT (0.35) KMT2ASIGMAR1PLK1MAPTALDH1A1
SCHEMBL6853958 0.90 MAPT (0.35) KMT2ASIGMAR1PLK1MAPTALDH1A1
SCHEMBL6850070 0.83 PLK1 (0.39) KMT2ACYP3A4MEN1PKMPLK1
SCHEMBL6850067 0.83 PLK1 (0.39) KMT2ACYP3A4MEN1PKMPLK1
SCHEMBL6850052 0.82 DPP4 (0.33) KMT2APKMSIGMAR1PLK1MAPT

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