SCHEMBL21548844

SCHEMBL21548844

Cc1nc(C=O)nc(OCc2cccnc2)c1Cc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CCR4 P51679 1/20 0.39
▸ GPR132 Q9UNW8 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MGMT P16455 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 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
SCHEMBL21548812 0.90 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL21526079 0.83 GPR132 (0.44) SMN1; SMN2CCR4GPR132HTR1ADRD2
SCHEMBL21548831 0.82 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1LMNAHTT
SCHEMBL21548960 0.81 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL23956006 0.77 MAPK14 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL23956005 0.75 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL20356576 0.72 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1LMNAENPP1
SCHEMBL21526094 0.72 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL20356567 0.71 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL21548830 0.69 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
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