SCHEMBL20804312

SCHEMBL20804312

Cn1cc(-c2nn(C(=O)OC(C)(C)C)c3cc(Br)c(Cl)cc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.46
TTK P33981 12/20 0.43
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
AURKA O14965 2/20 0.39
MAP2K4 P45985 1/20 0.39
RET P07949 4/20 0.39
CREBBP Q92793 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL20804310 0.87 RET (0.42) TTKMAP2K4RETGPR119
SCHEMBL20791779 0.85 RET (0.42) TTKRET
SCHEMBL20791817 0.85 AXL (0.51) AXLCREBBP
SCHEMBL24148625 0.83 AXL (0.46) AXLTTKCCNA2CDK2AURKA
SCHEMBL19950249 0.83 TTK (0.42) TTKCCNA2CDK2AURKAMAP2K4
SCHEMBL29746390 0.83 TTK (0.42) TTKCCNA2CDK2AURKAMAP2K4
SCHEMBL23263988 0.81 TTK (0.42) AXLTTKCCNA2CDK2AURKA
SCHEMBL20804451 0.78 FAAH (0.35) CDK2AURKAMAP2K4
SCHEMBL20804449 0.77 FAAH (0.34) MAP2K4
SCHEMBL26632174 0.76 TTK (0.41) TTKCCNA2CDK2AURKARET

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