SCHEMBL22149366

SCHEMBL22149366

Clc1nc(N[C@@H]2C[C@]34CC[C@@H]2[C@@H](C3)C4)c2cccn2n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.35
CYP1A2 P05177 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.31
TTK P33981 1/20 0.31

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
SCHEMBL22899524 0.76 LCK (0.46) IGF1RIRAK4TTK
SCHEMBL24766244 0.74 LCK (0.48) IGF1RIRAK4TTK
SCHEMBL25783428 0.74 TTK (0.47) IGF1RCYP1A2IRAK4TTK
SCHEMBL24765705 0.74 TTK (0.47) IGF1RCYP1A2IRAK4TTK
SCHEMBL24765950 0.72 IGF1R (0.42) IGF1RCYP1A2IRAK4
SCHEMBL22149169 0.71 IGF1R (0.38) IGF1RCYP1A2IRAK4
SCHEMBL22149188 0.71 IGF1R (0.38) IGF1RCYP1A2IRAK4TTK
SCHEMBL22149173 0.70 IGF1R (0.35) IGF1RCYP1A2IRAK4
SCHEMBL24198370 0.70 MAPT (0.35) IGF1RTTK
SCHEMBL24766699 0.70 TTK (0.48) IGF1RCYP1A2IRAK4TTK

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-2020125673-A1 INFLUENZA VIRUS REPLICATION INHIBITOR, INTERMEDIATE AND USE THEREOF 南京药石科技股份有限公司 2020-06-25 WO disclosed