SCHEMBL19203898

SCHEMBL19203898

Cc1nc2c(ccn2C)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.41
PRKCI P41743 1/20 0.40
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
APP P05067 1/20 0.31
HSD11B1 P28845 1/20 0.31
SMPD3 Q9NY59 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL22004963 0.80 PIK3CB (0.35) PIK3CBPRKCIPIK3CAMTORKDM4E
SCHEMBL20783129 0.79 PIK3CB (0.40) PIK3CBPRKCIPIK3CAMTORHRH4
SCHEMBL21958556 0.77 KDM4E (0.44) PIK3CBPRKCIPIK3CAMTORKDM4E
SCHEMBL19203917 0.75 PIK3CB (0.37) PIK3CBPRKCIHRH4KDM4EAPOBEC3A
SCHEMBL23937882 0.74 GRM1 (0.36) PIK3CBMAPTSMN1; SMN2DDB1CRBN
SCHEMBL15091312 0.69 PIK3CB (0.44) PIK3CBPRKCIHRH4DDB1CRBN
SCHEMBL30503539 0.69 APP (0.34) PIK3CBPRKCIKDM4EMAPTAPOBEC3A
SCHEMBL3481120 0.69 PIK3CB (0.49) PIK3CBPRKCIPIK3CAMTORHRH4
SCHEMBL21663754 0.69 XDH (0.34) PIK3CBPRKCIKDM4EALDH1A1MAPT
SCHEMBL22705056 0.68 DYRK1A (0.47) KDM4EALDH1A1MAPTMEN1USP2

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-2017132474-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2017-08-03 WO disclosed