SCHEMBL11615543

SCHEMBL11615543

CNc1ccnc(CN)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.38
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ LOXL2 Q9Y4K0 6/20 0.35
▸ LOX P28300 3/20 0.35
▸ AOC1 P19801 2/20 0.35
▸ AOC3 Q16853 2/20 0.35
▸ LOXL3 P58215 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL26739697 0.82 PRKCI (0.49) PRKCIGRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL10883653 0.80 JAK2 (0.41) PRKCIGRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL21982078 0.78 KDM4E (0.50) PRKCILMNAKDM4ECYP3A4TSHR
Hydrochloric Acid SCHEMBL10883137 0.78 GRIN2D (0.35) PRKCIGRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL25099306 0.77 HASPIN (0.43) ADRA1AADRA1BLOXCYP1A2LMNA
SCHEMBL11614989 0.77 PRKCI (0.49) PRKCIGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18880283 0.74 PRMT6 (0.42) LOXL2LOXLOXL3LMNAKDM4E
SCHEMBL4265097 0.72 — —
SCHEMBL1099009 0.72 — —
SCHEMBL29654114 0.72 — —

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-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 — — US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 — — US disclosed
Send feedback