SCHEMBL21135203

SCHEMBL21135203

C=NNc1cc2nc(C(=O)NC3CCCCN3)cn2c(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.45
CNR2 P34972 2/20 0.33
NAPEPLD Q6IQ20 3/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL21135205 0.85 ATR (0.53) ATRCNR2NAPEPLDKDM4ENPC1
SCHEMBL21055063 0.83 KDM4E (0.49) ATRKDM4EMAPTIRAK4
SCHEMBL30312464 0.83 KDM4E (0.49) ATRKDM4EMAPTIRAK4
SCHEMBL21135207 0.71 ATR (0.41) ATRNAPEPLDKDM4ENPC1MAPT
SCHEMBL30312542 0.70 ATR (0.49) ATRKDM4EMAPTIRAK4
SCHEMBL21055086 0.70 ATR (0.49) ATRKDM4EMAPTIRAK4
SCHEMBL30312523 0.70 LMNA (0.51) ATRKDM4EMAPTIRAK4
SCHEMBL21055011 0.70 LMNA (0.51) ATRKDM4EMAPTIRAK4
SCHEMBL30312509 0.70 PIKFYVE (0.50) ATRKDM4EMAPTIRAK4
SCHEMBL21135271 0.70 LMNA (0.50) ATRCNR2KDM4EMAPTIRAK4

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-2019113523-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF BAJJI ASHOK (US) 2019-06-13 WO disclosed