SCHEMBL4437468

SCHEMBL4437468

Cc1cnc(C)c(C)n1.Cc1cnc(C)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
UHRF1 Q96T88 1/20 0.32
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL107646 0.94
Hydrochloric Acid SCHEMBL3563203 0.92 JAK3 (0.39) JAK3CYP1A2CYP2A6POLBHPGD
Methylamine SCHEMBL27750730 0.89 JAK3 (0.38) JAK3CYP1A2CYP2A6UHRF1POLB
Methyl Alcohol SCHEMBL16458351 0.89 JAK3 (0.42) JAK3CYP1A2CYP2A6POLBHPGD
Pyrazine SCHEMBL28202972 0.87 JAK3 (0.33) JAK3
Pyrazine SCHEMBL27950761 0.84 JAK3 (0.36) JAK3
Pyrazine SCHEMBL28203689 0.83 JAK3 (0.34) JAK3
Alcohol SCHEMBL28121239 0.82 JAK3 (0.39) JAK3POLBHPGDSMN1; SMN2
SCHEMBL27635507 0.82 JAK3 (0.36) JAK3CYP1A2
Sulfuric Acid SCHEMBL4274195 0.80 JAK3 (0.38) JAK3POLBHPGDSMN1; SMN2

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-2009017412-A1 SUGAR PROCES-DERIVED AROMA COMPOSITION AND ITS PREPARATION AND USE Koninklijke Coöperatie Cosun U.A. (NL) 2009-02-05 WO disclosed