SCHEMBL7703034

SCHEMBL7703034

Nc1cc(NCc2ccccc2)cc2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.53
GPR68 Q15743 3/20 0.44
MAPT P10636 2/20 0.43
APP P05067 2/20 0.41
HTR1A P08908 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7705606 0.90 CSNK1D (0.55) CSNK1DMAPTEGLN2MEN1POLB
SCHEMBL7705858 0.85 MAPT (0.46) CSNK1DMAPTMEN1POLBKMT2A
SCHEMBL7708668 0.83 PDE5A (0.49) CSNK1DMAPTAPPADORA2AADORA1
SCHEMBL7711803 0.82 F2 (0.47) CSNK1DGPR68MAPTADORA2AADORA1
SCHEMBL7708909 0.79 ADORA2A (0.52) CSNK1DADORA2AMEN1KMT2A
SCHEMBL7703064 0.78 ALDH1A1 (0.45) CSNK1DMAPTADORA2AADORA1MEN1
SCHEMBL7431271 0.75 AMY1A (0.50) CSNK1DMAPTMEN1KMT2A
SCHEMBL6873157 0.70 HPGDS (0.51) CSNK1DADORA2A
SCHEMBL7708837 0.70 GRM5 (0.52) ADORA2A
SCHEMBL2555310 0.68 KLKB1 (0.69) MAPTMEN1POLBKMT2A

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
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed