SCHEMBL28906261

SCHEMBL28906261

O=C(NCC1CCOC1)c1ccc(B(O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.56
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRA5 P31644 1/20 0.43

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
SCHEMBL5463505 0.84 MAPK14 (0.54) NAMPT
SCHEMBL22922423 0.83 NAMPT (0.58) NAMPTMEN1KMT2A
SCHEMBL15529281 0.83 NAMPT (0.58) NAMPTMEN1KMT2A
SCHEMBL22859045 0.83 NAMPT (0.58) NAMPTMEN1KMT2A
SCHEMBL22859047 0.83 NAMPT (0.58) NAMPTMEN1KMT2A
SCHEMBL21590172 0.83 NAMPT (0.63) NAMPTGABRA5
SCHEMBL25211791 0.77 NAMPT (0.57) NAMPT
SCHEMBL25255652 0.77 NAMPT (0.57) NAMPT
SCHEMBL24230349 0.77 NAMPT (0.57) NAMPT
SCHEMBL24230040 0.77 NAMPT (0.52) NAMPTGABRA5

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
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed