SCHEMBL18774086

SCHEMBL18774086

COc1ccc(I)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.48
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 7/20 0.40
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
PDE2A O00408 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PDE5A O76074 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
SCHEMBL5839510 0.77 POLB (0.50) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL172558 0.76 NNMT (0.52) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL2461286 0.76 POLB (0.36) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL12677821 0.76 CYP1A2 (0.39) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL22953996 0.76 HTT (0.37) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL5925796 0.76 NNMT (0.39) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL5925877 0.76 POLB (0.36) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL4977234 0.74 KDM4E (0.52) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL18960386 0.74 MAP4K4 (0.44) CYP1A2KMT2ATDP1ALDH1A1HTT
SCHEMBL12093130 0.73 NNMT (0.48) NNMTCYP1A2KMT2APDE10APOLB

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
EP-3159342-B1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/PI3K INHIBITOR CISEN PHARMACEUTICAL CO LTD (CN) 2020-08-05 EP disclosed
EP-3159341-B1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS PI3K INHIBITOR CHAI TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-08-21 EP disclosed
EP-3159342-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/PI3K INHIBITOR Cisen Pharmaceutical Co. Ltd. (CN) 2017-04-26 EP disclosed
EP-3159341-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS PI3K INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2017-04-26 EP disclosed