SCHEMBL20079404

SCHEMBL20079404

CSc1ncc(C)nc1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL11329005 0.81 MEN1 (0.38) JAK3MEN1KMT2AALDH1A1
SCHEMBL22519373 0.73 KMT2A (0.36) MEN1KMT2AALDH1A1
SCHEMBL107646 0.71
SCHEMBL29496501 0.71
Hydrochloric Acid SCHEMBL3563203 0.69 JAK3 (0.39) JAK3
Methane SCHEMBL28576291 0.69 JAK3 (0.39) JAK3
Water SCHEMBL28859882 0.69 JAK3 (0.39) JAK3
SCHEMBL11605794 0.68 ALDH1A1 (0.33) JAK3ALDH1A1
SCHEMBL4437468 0.67 JAK3 (0.38) JAK3
SCHEMBL891369 0.67

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103826468-B Feedstuff flavoring compositions 林承昱 2016-09-07 CN claimed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed