SCHEMBL27974629

SCHEMBL27974629

COC(=O)c1cccc(C#Cc2cnc3ccnn3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIT P10721 19/20 0.55
DDR1 Q08345 17/20 0.55
DDR2 Q16832 2/20 0.51

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
SCHEMBL31533194 0.85 KIT (0.53) KITDDR1DDR2
SCHEMBL27974407 0.85 KIT (0.53) KITDDR1DDR2
SCHEMBL27974670 0.84 KIT (0.76) KITDDR1DDR2
SCHEMBL21855118 0.84 KIT (0.50) KITDDR1DDR2
SCHEMBL27974412 0.84 KIT (0.61) KITDDR1DDR2
SCHEMBL27974631 0.83 KIT (0.60) KITDDR1DDR2
SCHEMBL17471694 0.77 ABL1 (0.53)
SCHEMBL31139937 0.76 ALOX15 (0.48)
SCHEMBL9903113 0.75 KIT (0.44) KITDDR1DDR2
SCHEMBL3712736 0.75 ALDH1A1 (0.62)

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-103965195-B Compound and application thereof for discoidin domain receptor micromolecular inhibitor 中国科学院广州生物医药与健康研究院 2016-09-28 CN disclosed
CN-103965195-A Compound used for discoidin domain receptor micro-molecule inhibitor, and its application GUANGZHOU INST BIOMED & HEALTH 2014-08-06 CN disclosed