SCHEMBL20804310

SCHEMBL20804310

COc1cc2c(-c3cnn(C)c3)nn(C(=O)OC(C)(C)C)c2cc1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.42
MAP2K4 P45985 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ELANE P08246 1/20 0.36
ACVR2A P27037 1/20 0.36
TGFBR2 P37173 1/20 0.36
ERN1 O75460 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
USP30 Q70CQ3 2/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
TTK P33981 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL20804312 0.87 AXL (0.46) RETMAP2K4GPR119TTK
SCHEMBL24148625 0.82 AXL (0.46) RETMAP2K4GPR119USP30GSK3B
SCHEMBL29746390 0.78 TTK (0.42) RETMAP2K4GPR119GSK3BDYRK1A
SCHEMBL19950249 0.78 TTK (0.42) RETMAP2K4GPR119GSK3BDYRK1A
SCHEMBL31393238 0.77 KMT2A (0.41) MAP2K4MEN1KMT2AL3MBTL1ELANE
SCHEMBL29907124 0.77 TTK (0.40) RETACVR2ATGFBR2ERN1GPR119
SCHEMBL23210931 0.77 TTK (0.40) RETACVR2ATGFBR2ERN1GPR119
SCHEMBL20791779 0.77 RET (0.42) RETTTK
SCHEMBL19950686 0.75 MAP4K1 (0.44) RETMAP2K4TTK
SCHEMBL29746578 0.75 MAP4K1 (0.44) RETMAP2K4TTK

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-2019051199-A1 6-CYANO-INDAZOLE COMPOUNDS AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS INCYTE CORPORATION (US) 2019-03-14 WO disclosed