SCHEMBL22650391

SCHEMBL22650391

COc1nc(B(O)O)cc2c1nc(C)n2C1CCCC1O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL22650393 0.83 CCNT1 (0.36) JAK2JAK1
SCHEMBL29491154 0.83 CCNT1 (0.36) JAK2JAK1
SCHEMBL29491138 0.79 AHCY (0.37)
SCHEMBL22650399 0.73 CDK4 (0.33) JAK2JAK1
SCHEMBL22650744 0.71 DAPK1 (0.32)
SCHEMBL29491148 0.70 CCNT1 (0.39) JAK2JAK1
SCHEMBL22650400 0.70 CCNT1 (0.39) JAK2JAK1
SCHEMBL26521402 0.60 SQOR (0.35)
SCHEMBL26111976 0.59 ENPP2 (0.34)
SCHEMBL9786783 0.58 AHCY (0.50)

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed