SCHEMBL16495083

SCHEMBL16495083

Oc1cccc2[nH]cc(CCNc3ccnc(NCc4ccc5[nH]ccc5c4)n3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
HTR2C P28335 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
HTR1A P08908 2/20 0.39
GLA P06280 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
IP6K1 Q92551 1/20 0.38

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
SCHEMBL16494247 0.97 HTR2A (0.44) HTR2AHTR2CMEN1KMT2AUSP2
SCHEMBL12185437 0.87 MKNK1 (0.51) HTR2AMEN1KMT2AUSP2CYP1A2
SCHEMBL16495082 0.85 SPR (0.41) HTR2AHTR2CMEN1KMT2AUSP2
SCHEMBL12185425 0.84 MTNR1A (0.43) HTR2AMEN1KMT2AUSP2CYP1A2
SCHEMBL12185423 0.84 CDK2 (0.52) HTR2AMEN1KMT2AUSP2CYP1A2
SCHEMBL12185439 0.84 SPR (0.48) HTR2AHTR2CMEN1KMT2AUSP2
SCHEMBL16495008 0.82 SPR (0.40) HTR2AHTR2CMEN1KMT2AUSP2
SCHEMBL2598612 0.81 SPR (0.47) HTR2AHTR2CMEN1KMT2AUSP2
SCHEMBL12185470 0.80 CYP1A2 (0.46) HTR2AMEN1KMT2AUSP2CYP1A2
SCHEMBL12185481 0.78 PRKCQ (0.40) MEN1KMT2ALMNACCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP disclosed