SCHEMBL8854902

SCHEMBL8854902

Cc1ccnc(-c2cccc(-c3ccccc3)n2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 1/20 0.55
CYP2A6 P11509 1/20 0.45
AURKA O14965 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRKACA P17612 1/20 0.44
ADORA2A P29274 1/20 0.44
ASIC3 Q9UHC3 1/20 0.43
GRM5 P41594 1/20 0.41
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
TGFBR1 P36897 2/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL10539132 0.90 CYP2A6 (0.53) MEN1KMT2ARAB9ACYP2A6AURKA
SCHEMBL17866642 0.87 KMT2A (0.67) MEN1KMT2ARAB9AAURKAHSP90AA1
SCHEMBL15470589 0.83 CCR1 (0.60) CYP2A6GRM5CCR1CCR8TGFBR1
SCHEMBL9370065 0.83 KMO (0.49) RAB9AGRM5MAPTMAP4K4
SCHEMBL3890399 0.81 RAB9A (0.70) MEN1KMT2ARAB9AAURKAHSP90AA1
SCHEMBL32526767 0.81 L3MBTL1 (0.50) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL832407 0.81 L3MBTL1 (0.50) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL5686000 0.80 RAB9A (0.61) MEN1KMT2ARAB9AASIC3TGFBR1
SCHEMBL23995917 0.79 LMNA (0.46) MEN1KMT2ARAB9AADORA2AKDM4E
SCHEMBL9370450 0.79 KDM4E (0.42) MEN1KMT2ARAB9AAURKAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259139-B1 Pyridinylpyrimidine derivatives, method for production thereof and a plant disease protectant containing them as the active ingredient SUMITOMO CHEMICAL CO (JP) 1994-01-26 EP claimed
US-4783466-A Novel pyridinylpyrimidine derivatives, method for production thereof and a plant disease protectant containing them as the active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-08 US claimed
EP-0259139-A2 Pyridinylpyrimidine derivatives, method for production thereof and a plant disease protectant containing them as the active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-09 EP claimed
JP-8059411-A None JP disclosed
US-5693644-A Wood preservatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-02 US disclosed
JP-H0859411-A ANTISEPTIC FOR WOOD SUMITOMO CHEM CO LTD 1996-03-05 JP disclosed