SCHEMBL7415595

SCHEMBL7415595

O=c1[nH]c2nnc(Cc3ccc(F)cc3)n2c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 2/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.39
TP53 P04637 2/20 0.38
LCK P06239 1/20 0.37
PRKACA P17612 1/20 0.37
CSNK2A2 P19784 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
DYRK1A Q13627 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL30306362 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APARP1MAPT
SCHEMBL20100768 0.79 RPA1 (0.43) PLK1ALDH1A1MEN1KMT2APARP1
SCHEMBL29995067 0.71 DNM1 (0.43) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL15083751 0.71 PARP1 (0.47) ALDH1A1MEN1KMT2APARP1LCK
SCHEMBL29994664 0.71 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APARP1MAPT
SCHEMBL30961044 0.70 NPC1 (0.39) PLK1ALDH1A1MEN1TSHRKMT2A
SCHEMBL17297888 0.68 PARP1 (0.41) PLK1ALDH1A1MEN1KMT2APARP1
SCHEMBL6858242 0.65 HPGD (0.41) ALDH1A1MEN1TSHRKMT2APARP1
SCHEMBL5214046 0.64 LOXL2 (0.57) ALDH1A1MEN1KMT2APARP1MAOB
SCHEMBL15180301 0.64 RPA1 (0.57) ALDH1A1MEN1KMT2APARP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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