SCHEMBL30853389

SCHEMBL30853389

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2cn(OC)nc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
FFAR1 O14842 1/20 0.31
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
HIF1A Q16665 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL760501 0.78 UCHL1 (0.45) HIF1AKMT2A
SCHEMBL17921438 0.76 DGAT1 (0.34) DGAT1HIF1AKMT2A
SCHEMBL17092773 0.75 KDM4E (0.42) DGAT1KMT2A
SCHEMBL24745608 0.74 RAB9A (0.35) DGAT1HIF1AKMT2A
SCHEMBL30572614 0.73 DHODH (0.38) DGAT1
SCHEMBL20482359 0.73 DHODH (0.38) DGAT1
SCHEMBL17071940 0.71 DGAT1 (0.40) DGAT1FFAR1PDGFRBKDRHIF1A
SCHEMBL3374281 0.70 BRD4 (0.43) DGAT1FFAR1HIF1AKMT2A
SCHEMBL26660219 0.70 DGAT1 (0.44) DGAT1PDGFRBKDRHIF1A
SCHEMBL25035049 0.70 HIF1A (0.43) DGAT1HIF1A

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-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 CN disclosed