SCHEMBL9500898

SCHEMBL9500898

CN1CNC(=O)c2nccnc21.c1ccc2c(c1)CO2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
NISCH Q9Y2I1 3/20 0.33
OXTR P30559 1/20 0.33
TERT O14746 1/20 0.32
HSD17B3 P37058 1/20 0.32
NR3C2 P08235 1/20 0.32
GHSR Q92847 3/20 0.32
KMT2A Q03164 1/20 0.31
NSD2 O96028 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL9500914 0.87 NISCH (0.35) NISCH
Propylene Oxide SCHEMBL9498943 0.76
SCHEMBL30349594 0.64
SCHEMBL346944 0.64
SCHEMBL10170816 0.64 OXTR (0.52) NISCHOXTRHSD17B3KMT2AMAOA
Bromomethane SCHEMBL1844007 0.62 OXTR (0.46) OXTRHSD17B3KMT2AMAOAMAOB
Bromide SCHEMBL22498666 0.62
SCHEMBL28675786 0.62
Ammonia Solution, Strong SCHEMBL8863598 0.62
SCHEMBL5045846 0.61 MAOA (0.50) OXTRHSD17B3KMT2AMAOAMAOB

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-5270465-A 4(3H)-pteridinone compounds LIPHA, LYONNAISE INDUSTRILLE PHARMACEUTIQUE (FR) 1993-12-14 US claimed