SCHEMBL25958441

SCHEMBL25958441

c1ncc2ccn(C3CCCCC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.44
CDK4 P11802 5/20 0.44
CDK1 P06493 2/20 0.44
INSR P06213 1/20 0.44
PDGFRB P09619 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CDK7 P50613 1/20 0.44
NTRK2 Q16620 1/20 0.44
PI4KA P42356 3/20 0.41
PI4K2B Q8TCG2 3/20 0.41
PI4K2A Q9BTU6 3/20 0.41
PI4KB Q9UBF8 3/20 0.41
ADORA2A P29274 3/20 0.41
TTK P33981 3/20 0.39
MKNK2 Q9HBH9 2/20 0.39
ADORA3 P0DMS8 2/20 0.39

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
SCHEMBL5356546 0.98 AURKA (0.43) AURKACDK4CDK1INSRPDGFRB
SCHEMBL2241217 0.92 MKNK2 (0.41) AURKACDK4CDK1INSRPDGFRB
SCHEMBL12984555 0.81 DGAT1 (0.42) AURKACDK4MKNK2DGAT1PRMT5
SCHEMBL28122201 0.79 ABL1 (0.42) CDK1INSRSRCFLT4KDR
SCHEMBL25956967 0.79 ALDH1A1 (0.38) AURKACDK4CDK1INSRPDGFRB
SCHEMBL25047342 0.77 PRMT5 (0.39) SRCKDRMKNK2PRMT5WDR77
SCHEMBL25047326 0.76 ALDH1A1 (0.46) PI4KAPI4K2BPI4K2API4KBMKNK2
SCHEMBL24110237 0.76 MKNK2 (0.39) CDK4MKNK2PRMT5WDR77
SCHEMBL25049095 0.76 PRMT5 (0.36) INSRPDGFRBSRCPDGFRAFLT1
SCHEMBL27575145 0.76 DRD2 (0.52)

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-4219496-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed