SCHEMBL30769729

SCHEMBL30769729

CCc1c(N2CCOCC2)nc2c(C(C)Nc3ccccc3)cccn2c1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.51
PIK3CA P42336 12/20 0.51
PIK3CD O00329 5/20 0.51
PIK3CG P48736 4/20 0.51
PIK3R1 P27986 1/20 0.51
CSNK1A1 P48729 1/20 0.51
PTK2 Q05397 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
PRKDC P78527 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6132105 0.87 PIK3CB (0.55) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL16268102 0.79 PIK3CB (0.75) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL2217551 0.69 SMN1; SMN2 (0.65) SMN1; SMN2
Hydrochloric Acid SCHEMBL2219072 0.68 SMN1; SMN2 (0.64) SMN1; SMN2
SCHEMBL29358326 0.67 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL902952 0.67 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL16340412 0.65 HTR1A (0.41) SMN1; SMN2
SCHEMBL31303956 0.65 ADORA3 (0.41) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL15887180 0.64 PIM1 (0.44) PIK3CBPIK3CAPIK3CDSMN1; SMN2
SCHEMBL2219070 0.63 SMN1; SMN2 (0.65) SMN1; SMN2

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-2023230577-A1 METHODS OF TREATING CANCER WITH AN MTOR INHIBITOR Revolution Medicines, Inc. (US) 2023-11-30 WO disclosed