Sugi Predict

Sugi Predict / Compounds / SCHEMBL9040305

SCHEMBL9040305

SCHEMBL9040305

CCOC(=O)c1ccc(N(C)CCc2c[nH]c3nc(N)nc(N)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.42
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ DHFR P00374 1/20 0.38
▸ TYMS P04818 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
SCHEMBL7843188 0.85 NAMPT (0.57) NAMPTLMNACYP1A2CYP3A4MAOA
SCHEMBL9042181 0.83 DHFR (0.54) DHFRTYMS
SCHEMBL9042192 0.83 DHFR (0.54) DHFRTYMS
SCHEMBL9044536 0.83 NAMPT (0.51) NAMPTLMNACYP1A2CYP3A4MAOA
SCHEMBL9039595 0.82 DHFR (0.52) NAMPTLMNADHFR
SCHEMBL9043791 0.82 LMNA (0.38) JAK2JAK3LMNACYP1A2CYP3A4
SCHEMBL9042512 0.81 NAMPT (0.43) NAMPTLMNACYP1A2CYP3A4MAOA
SCHEMBL9042675 0.77 DHFR (0.66) LMNADHFRTYMS
SCHEMBL9044792 0.76 TYMS (0.51) NAMPTLMNACYP1A2CYP3A4MAOA
SCHEMBL9047680 0.74 DHFR (0.45) NAMPTLMNACYP1A2CYP3A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400562-B1 Pyrrolopyrimidines, their production and use as tumoricidal agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-08-21 — — EP disclosed