SCHEMBL17530769

SCHEMBL17530769

Cc1ccc2nc(N3CCN(C(=O)C4CC4)CC3)c(C(C)Nc3ncnc(N)n3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
TP53 P04637 3/20 0.45
MTNR1B P49286 1/20 0.42
LMNA P02545 1/20 0.38
OPRK1 P41145 4/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SOS1 Q07889 1/20 0.37
CCNK O75909 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 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
SCHEMBL17530781 0.91 ALDH1A1 (0.42) MAPTTP53MTNR1BLMNAPIK3CA
SCHEMBL17530766 0.90 MAP4K4 (0.40) MAPTTP53LMNAOPRK1KDM4E
SCHEMBL15875835 0.84 PIK3CD (0.44) MAPTMTNR1BLMNAALDH1A1SOS1
SCHEMBL15875832 0.84 PIK3CD (0.44) MAPTMTNR1BLMNAALDH1A1SOS1
SCHEMBL714203 0.82 MAPT (0.42) MAPTMTNR1BLMNAPIK3CAMTOR
SCHEMBL714202 0.82 MAPT (0.42) MAPTMTNR1BLMNAPIK3CAMTOR
SCHEMBL17530765 0.81 ALDH1A1 (0.40) MAPTTP53MTNR1BLMNAKDM4E
SCHEMBL17530859 0.80 KIT (0.40)
SCHEMBL17530813 0.79 KIT (0.39) MEN1KMT2A
SCHEMBL17530787 0.78 DPP4 (0.37) OPRK1PIK3CAMTORSOS1

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
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP claimed