SCHEMBL2875609

SCHEMBL2875609

Cc1ccc(Nc2nc(-c3ccc(F)cc3)nc3c2cnn3C)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.67
HAVCR2 Q8TDQ0 1/20 0.57
PIK3CA P42336 2/20 0.55
BCDIN3D Q7Z5W3 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL2870134 0.88 HTR2C (0.53) HTR2CHAVCR2PIK3CAKDM4EMEN1
SCHEMBL13942978 0.80 HTR2C (1.00) HTR2CBCDIN3DKDM4EMEN1ALDH1A1
SCHEMBL2860019 0.80 PIK3CA (0.58) HTR2CHAVCR2PIK3CABCDIN3DKDM4E
SCHEMBL13087256 0.79 GAA (0.78) HTR2CHAVCR2KDM4EMEN1ALDH1A1
SCHEMBL31194469 0.79 PDE5A (0.61) HTR2CPIK3CABCDIN3DKDM4EMEN1
SCHEMBL13944190 0.78 HTR2C (1.00) HTR2CBCDIN3DKDM4EMEN1ALDH1A1
SCHEMBL3751359 0.77 HTR2C (1.00) HTR2CBCDIN3DKDM4EMEN1ALDH1A1
SCHEMBL3174435 0.76 PIK3CA (0.60) HTR2CPIK3CABCDIN3DKDM4EMEN1
SCHEMBL13944354 0.76 HTR2C (0.77) HTR2CBCDIN3DKDM4EMEN1ALDH1A1
SCHEMBL2855842 0.75 HTR2C (0.48) HTR2CPIK3CABCDIN3DMAPT

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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed