SCHEMBL29617551

SCHEMBL29617551

C1=CCOCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)COC1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 20/20 0.82
JAK2 O60674 19/20 0.82
TYK2 P29597 17/20 0.82
CDK2 P24941 14/20 0.82
CCNA2 P20248 10/20 0.80
CCNA1 P78396 10/20 0.80
JAK1 P23458 13/20 0.77
JAK3 P52333 5/20 0.77

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
SCHEMBL20322485 1.00 FLT3 (0.82) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL1108225 0.91 JAK2 (0.71) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL1108219 0.91 JAK2 (0.71) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL1108269 0.90 FLT3 (1.00) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL823902 0.90 FLT3 (0.67) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL824044 0.89 FLT3 (1.00) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL824054 0.89 FLT3 (1.00) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL823837 0.89 FLT3 (0.69) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL1108223 0.88 JAK2 (0.78) FLT3JAK2TYK2CDK2CCNA2
SCHEMBL20322488 0.87 JAK2 (0.79) FLT3JAK2TYK2CDK2CCNA2

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
EP-3179992-B1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PD-1 INHIBITOR AND/OR A PD-L1 INHIBITOR ACERTA PHARMA BV (NL) 2022-05-11 EP disclosed