SCHEMBL19984784

SCHEMBL19984784

COc1ccccc1-c1nnc(CNCc2cnn(C)c2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.47
PDCD1LG2 Q9BQ51 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
EGFR P00533 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
ANO2 Q9NQ90 1/20 0.43
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
APLNR P35414 2/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 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
SCHEMBL19984800 0.78 PDE1A (0.41) PDCD1LG2CD274EGFRPDE1APDE1B
SCHEMBL19984783 0.75 CTSA (0.42) EGFRPDE1APDE1BPDE1CALDH1A1
SCHEMBL19984794 0.74 KMT2A (0.41) PDE1APDE1BPDE1CALDH1A1SMN1; SMN2
SCHEMBL19984816 0.74 ADAMTS4 (0.41) EGFRPDE1APDE1BPDE1CALDH1A1
SCHEMBL19984996 0.72 ANO1 (0.45) PTK2EGFRANO1ANO2PTGS2
SCHEMBL13073875 0.71 PTK2 (0.59) PTK2EGFRANO1ANO2PTGS2
SCHEMBL19984808 0.71 EGFR (0.50) PTK2EGFRANO1ANO2PTGS2
SCHEMBL3828361 0.70 PTK2 (0.57) PTK2EGFRANO1ANO2PTGS2
SCHEMBL16509724 0.69 ALDH1A1 (0.57) PTK2EGFRANO1ANO2PTGS2
SCHEMBL19984993 0.69 PTK2 (0.48) PTK2EGFRANO1ANO2PTGS2

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-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed