SCHEMBL16339192

SCHEMBL16339192

Nc1ncc(Cc2ccc3[nH]ccc3c2)c(N)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.57
HTT P42858 1/20 0.54

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
SCHEMBL6862851 0.89 DHFR (0.57) DHFRHTT
SCHEMBL2598775 0.81 KDR (0.48)
SCHEMBL2598577 0.81 SYK (0.46)
SCHEMBL2598633 0.80 BACE1 (0.43) DHFR
SCHEMBL2598814 0.79 BACE1 (0.40) DHFR
SCHEMBL6557495 0.79 DHFR (0.54) DHFR
SCHEMBL16339568 0.78 DHFR (0.58) DHFRHTT
SCHEMBL16494310 0.77 CLK2 (0.45) DHFR
SCHEMBL9829477 0.77 DHFR (0.63) DHFR
SCHEMBL7119117 0.76 DHFR (0.62) DHFR

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
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US claimed
CN-103003264-B Novel pyrimidine derivatives CHEMILIA AB 2014-08-06 CN claimed
CN-103003264-B Novel pyrimidine derivatives CHEMILIA AB 2014-08-06 CN disclosed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP disclosed