SCHEMBL25344880

SCHEMBL25344880

Cc1c(P=O)ccc(B2OC(C)(C)C(C)(C)O2)c1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.33
BTK Q06187 3/20 0.33
LPL P06858 4/20 0.33
LIPG Q9Y5X9 4/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL12703333 0.83 LPL (0.42) JAK2BTKLPLLIPGCA1
SCHEMBL12616496 0.74 LPL (0.36) JAK2BTKLPLLIPGCA1
SCHEMBL27611992 0.73 JAK2 (0.35) JAK2BTKLPLLIPGCA1
SCHEMBL23167283 0.73 JAK2 (0.40) JAK2BTKLPLLIPGCA1
SCHEMBL23166872 0.73 LPL (0.35) JAK2BTKLPLLIPGCA1
SCHEMBL11927624 0.71 LPL (0.44) JAK2BTKLPLLIPGCA1
SCHEMBL2732956 0.71 LIPG (0.35) JAK2BTKLPLLIPG
SCHEMBL19610355 0.70 CSF1R (0.36) JAK2BTKLPLLIPGCA1
SCHEMBL4426027 0.70 JAK2 (0.32) JAK2BTKLPLLIPG
SCHEMBL2825036 0.70 F11 (0.36) JAK2BTKLPLLIPGCA1

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed