SCHEMBL20159172

SCHEMBL20159172

C=C(C#Cc1cnc2cccnn12)/C(C)=C\C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
CSF1R P07333 1/20 0.38
ROR1 Q01973 7/20 0.37
ABL1 P00519 4/20 0.36
KLK7 P49862 1/20 0.35
DYRK1A Q13627 2/20 0.34
DDR1 Q08345 4/20 0.33

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
SCHEMBL16704334 0.74 MKNK1 (0.46) MKNK1CSF1RROR1ABL1KLK7
SCHEMBL588504 0.72 MKNK1 (0.44) MKNK1CSF1RROR1ABL1KLK7
SCHEMBL22369939 0.71 MKNK1 (0.46) MKNK1CSF1RROR1ABL1KLK7
SCHEMBL22580709 0.70 CSF1R (0.61) CSF1RROR1ABL1
SCHEMBL10207631 0.69 MKNK1 (0.44) MKNK1CSF1RROR1ABL1DYRK1A
SCHEMBL29890013 0.69 MKNK1 (0.41) MKNK1CSF1RROR1ABL1KLK7
SCHEMBL24496139 0.68 MKNK1 (0.43) MKNK1CSF1RROR1ABL1KLK7
SCHEMBL19840388 0.68 MKNK1 (0.49) MKNK1KLK7DYRK1A
SCHEMBL17471717 0.66 CSF1R (0.57) CSF1RROR1ABL1
SCHEMBL15096062 0.65 ROR1 (0.67) CSF1RROR1ABL1DDR1

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-2018089736-A1 DEGRADATION OF PROTEIN KINASES BY CONJUGATION OF PROTEIN KINASE INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-17 WO disclosed