SCHEMBL11451374

SCHEMBL11451374

CCCNc1ncnc2c1ncn2Cc1c(F)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.60
▸ PDE4B Q07343 3/20 0.60
▸ PDE4C Q08493 3/20 0.60
▸ PDE4D Q08499 3/20 0.60
▸ HTT P42858 3/20 0.57
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PDE5A O76074 2/20 0.51
▸ PDE1A P54750 2/20 0.51
▸ PDE1B Q01064 2/20 0.51
▸ PDE3B Q13370 2/20 0.51
▸ PDE1C Q14123 2/20 0.51
▸ PDE3A Q14432 2/20 0.51
▸ TMIGD3 P0DMS9 4/20 0.49
▸ ADORA2A P29274 4/20 0.49
▸ ADORA1 P30542 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ADORA2B P29275 1/20 0.48

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
SCHEMBL11452542 0.91 HTT (0.59) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL10408838 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL11463803 0.84 HTT (0.56) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL11452052 0.83 HTT (0.67) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL11017458 0.82 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL11462599 0.79 SMN1; SMN2 (0.84) PDE4APDE4BPDE4CPDE4DHTT
Arprinocid SCHEMBL31025603 0.78 ADORA2A (0.60) HTTLMNASMN1; SMN2ADORA2AADORA1
Arprinocid SCHEMBL31379008 0.78 ADORA2A (0.60) HTTLMNASMN1; SMN2ADORA2AADORA1
Arprinocid SCHEMBL8375355 0.78 ADORA2A (0.60) HTTLMNASMN1; SMN2ADORA2AADORA1
Arprinocid SCHEMBL126655 0.78 ADORA2A (0.60) HTTLMNASMN1; SMN2ADORA2AADORA1

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
US-4189485-A ANTICOCCIDIAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-19 — — US claimed
US-4189485-A ANTICOCCIDIAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-19 — — US disclosed
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