SCHEMBL21548802

SCHEMBL21548802

CCCNc1nc(C)nc(C)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ CRHR1 P34998 8/20 0.51
▸ P2RX7 Q99572 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL20356749 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HTTCRHR1P2RX7TLR7
Hydrochloric Acid SCHEMBL21526020 0.84 SMN1; SMN2 (0.42) SMN1; SMN2HTTCRHR1P2RX7TLR7
SCHEMBL21548891 0.82 SMN1; SMN2 (0.73) SMN1; SMN2HTTP2RX7MEN1KMT2A
SCHEMBL21548811 0.76 HTT (0.46) SMN1; SMN2HTTP2RX7MEN1KMT2A
SCHEMBL21548936 0.76 MAPT (0.48) SMN1; SMN2HTTMEN1KMT2AKDM4E
SCHEMBL21526073 0.75 SMN1; SMN2 (0.44) SMN1; SMN2HTTCRHR1P2RX7KDM4E
Hydrochloric Acid SCHEMBL21526127 0.74 SMN1; SMN2 (0.43) SMN1; SMN2HTTCRHR1P2RX7KDM4E
Hydrochloric Acid SCHEMBL21526024 0.72 SMN1; SMN2 (0.43) SMN1; SMN2HTTP2RX7KDM4ELMNA
SCHEMBL21548809 0.72 SMN1; SMN2 (0.43) SMN1; SMN2HTTP2RX7KDM4ELMNA
SCHEMBL28322161 0.70 SMN1; SMN2 (0.50) SMN1; SMN2HTTP2RX7KMT2AKDM4E

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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