SCHEMBL9242002

SCHEMBL9242002

c1ncc(Oc2cncnc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
GRM5 P41594 8/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL24710880 0.84 LTA4H (0.60) LMNATDP1ATMGRM5
SCHEMBL28130528 0.82 LTA4H (0.57) LMNATDP1ATM
SCHEMBL11396596 0.80 LTA4H (0.54) TDP1GRM5
SCHEMBL178154 0.80 ALDH1A1 (0.64) TDP1
SCHEMBL11787248 0.80 MAOA (0.52) GRM5
SCHEMBL23069186 0.80 CYP19A1 (0.35) LMNATDP1GRM5ABL1
SCHEMBL27761280 0.80 SOS1 (0.48) GRM5
SCHEMBL166230 0.80 MEN1 (0.64) ABL1
SCHEMBL16453432 0.78 CYP1A2 (0.40) GRM5
Hydrochloric Acid SCHEMBL11790095 0.78 ALDH1A1 (0.61) TDP1

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-5451563-A Agricultural use, wheat, rice, tomatoes, pyridine, pyrimidine, pyrazine, pyridazine derivatives ROHM AND HAAS COMPANY (US) 1995-09-19 US disclosed
US-4417050-A Fungicidal, herbicidal and plant growth-regulating pyrimidyl-containing ethers CHEVRON RESEARCH COMPANY (US) 1983-11-22 US disclosed