SCHEMBL21033570

SCHEMBL21033570

C=C(CCC)c1cn2nc(-c3cnn(C)c3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.42
PIK3CG P48736 1/20 0.41
GRK5 P34947 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 1/20 0.37
CHEK1 O14757 1/20 0.37
RIPK1 Q13546 3/20 0.37
MET P08581 5/20 0.36
DYRK1A Q13627 2/20 0.36
ABL1 P00519 1/20 0.36
NQO2 P16083 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAP3K19 Q56UN5 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36

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
SCHEMBL21033576 0.81 KDM4E (0.60) FYNPIK3CGNPC1RAB9AKDM4E
SCHEMBL21033596 0.80 PIK3CG (0.51) FYNPIK3CGGRK5CHEK1RIPK1
SCHEMBL30845796 0.78 GRM2 (0.49) FYNPIK3CGGRK5CHEK1RIPK1
SCHEMBL19300033 0.73 JAK2 (0.38) MAPT
SCHEMBL19300145 0.68 JAK2 (0.35) CHEK1MAPT
SCHEMBL19338499 0.66 FYN (0.48) FYNGRK5KDM4ECHEK1MET
SCHEMBL3409540 0.66 DYRK1A (0.58) FYNGRK5CHEK1METDYRK1A
SCHEMBL21033944 0.65 KDM4E (0.31) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL16136540 0.64 FYN (0.61) FYNGRK5CHEK1METDYRK1A
SCHEMBL3487219 0.63 CSNK1D (0.56)

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-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO disclosed