SCHEMBL30827032

SCHEMBL30827032

CN1CCN(c2ccc(-c3csc4cnc(N)nc34)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.49
JAK2 O60674 1/20 0.49
BRD4 O60885 1/20 0.49
ACVR1 Q04771 3/20 0.48
FYN P06241 2/20 0.46
ACVRL1 P37023 1/20 0.46
LCK P06239 2/20 0.43
SRC P12931 2/20 0.43
HCK P08631 1/20 0.43
KDR P35968 1/20 0.43
RPS6KA3 P51812 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
DHFR P00374 1/20 0.43
FES P07332 1/20 0.42
RET P07949 1/20 0.42
ROS1 P08922 1/20 0.42
CDK4 P11802 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL29213517 1.00 PTK2 (0.49) PTK2JAK2BRD4ACVR1FYN
SCHEMBL265154 0.78 DHFR (0.59) FYNLCKSRCHCKKDR
SCHEMBL30560046 0.78 DHFR (0.59) FYNLCKSRCHCKKDR
SCHEMBL28070389 0.78 HRH4 (0.52) JAK2BRD4ACVR1FYNLCK
SCHEMBL1674222 0.72 PTK2 (0.63) PTK2JAK2BRD4FYNLCK
SCHEMBL14994930 0.72 PTK2 (0.49) PTK2FYNLCKSRCDHFR
SCHEMBL12371236 0.71 JAK2 (0.58) PTK2JAK2BRD4FYNLCK
SCHEMBL7369256 0.70 HTR2A (0.56) KDM4EALDH1A1GAAMAPTADRA2C
SCHEMBL1674303 0.70 PTK2 (0.65) PTK2JAK2BRD4FYNLCK
SCHEMBL29523374 0.70 PTK2 (0.65) PTK2JAK2BRD4FYNLCK

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-117769427-A Modified nucleosides and nucleotide analogues as antiviral agents for coronaviruses and other viruses 埃默里大学 2024-03-26 CN disclosed