SCHEMBL21757580

SCHEMBL21757580

Cc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
BTK Q06187 1/20 0.33
EGFR P00533 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
UCHL1 P09936 1/20 0.31

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
SCHEMBL29630948 0.84 EGFR (0.33) JAK2BTKEGFR
SCHEMBL18149237 0.84 EGFR (0.33) JAK2BTKEGFR
SCHEMBL12456123 0.82 UHRF1 (0.35) IRAK4
SCHEMBL29781537 0.82 UHRF1 (0.35) IRAK4
SCHEMBL16042893 0.81 NOS3 (0.33) JAK2BTKEGFR
SCHEMBL16043086 0.81 EGFR (0.36) JAK2BTKEGFR
SCHEMBL16754480 0.79 LPL (0.35) JAK2BTKEGFRIRAK4
SCHEMBL30606435 0.79 EGFR (0.37) EGFRUCHL1
SCHEMBL26658292 0.79 EGFR (0.37) EGFRUCHL1
SCHEMBL29977691 0.79 UHRF1 (0.39) IRAK4

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-3613737-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Genfleet Therapeutics (Shanghai) Inc. (CN) 2020-02-26 EP disclosed