SCHEMBL16495336

SCHEMBL16495336

Nc1nc(NCc2ccc3[nH]ccc3c2)ncc1Cc1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
MC5R P33032 3/20 0.41
MC1R Q01726 3/20 0.41
MC3R P41968 1/20 0.41
GPR84 Q9NQS5 5/20 0.41
AHR P35869 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDR P35968 2/20 0.40
IP6K1 Q92551 1/20 0.40
PRKCQ Q04759 1/20 0.40
GSK3B P49841 1/20 0.39
ABL1 P00519 1/20 0.37
SRC P12931 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
SCHEMBL2598672 0.92 MC5R (0.46) HTR6MC5RMC1RMC3RKMT2A
SCHEMBL16495018 0.85 HTR6 (0.42) HTR6MC5RMC1RMC3RGPR84
SCHEMBL2598749 0.85 PRKCQ (0.40) PIM1PIM3PIM2KDRPRKCQ
SCHEMBL16494245 0.84 MC5R (0.46) HTR6MC5RMC1RMC3RMEN1
SCHEMBL2598575 0.84 PRKCQ (0.37) PIM1PIM3PIM2PRKCQ
SCHEMBL16495175 0.84 HTR1A (0.49) HTR1AHTR2A
SCHEMBL16494258 0.82 HTR1A (0.41) MEN1KMT2ACYP3A4PIM1PIM3
SCHEMBL16494785 0.82 HTR2C (0.42) MC5RMC1RMC3RMEN1KMT2A
SCHEMBL2598633 0.81 BACE1 (0.43) PRKCQABL1SRC
SCHEMBL16494541 0.81 HTR1A (0.52) HTR1AHTR2AHTR7

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