SCHEMBL27783384

SCHEMBL27783384

O=C(O)c1cc(Nc2ncnc3nc[nH]c23)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 3/20 0.66
▸ TOP2A P11388 2/20 0.66
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ RAB9A P51151 5/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ HTT P42858 3/20 0.63
▸ TSHR P16473 2/20 0.63
▸ TP53 P04637 2/20 0.63
▸ MKNK1 Q9BUB5 4/20 0.58
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ ROCK1 Q13464 1/20 0.52
▸ TNNI3K Q59H18 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ BRD4 O60885 1/20 0.51

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
SCHEMBL4922295 0.91 SMN1; SMN2 (0.67) BRAFTOP2ASMN1; SMN2RAB9ANPC1
SCHEMBL4924375 0.87 TOP2A (0.67) BRAFTOP2ASMN1; SMN2RAB9ANPC1
SCHEMBL4923493 0.83 SMN1; SMN2 (0.78) BRAFTOP2ASMN1; SMN2RAB9ANPC1
SCHEMBL4921781 0.80 RAB9A (0.69) BRAFTOP2ASMN1; SMN2RAB9ANPC1
SCHEMBL4925939 0.78 RAB9A (0.73) BRAFTOP2ASMN1; SMN2RAB9ANPC1
SCHEMBL4913026 0.78 SMN1; SMN2 (0.73) BRAFTOP2ASMN1; SMN2RAB9ANPC1
SCHEMBL4923596 0.78 RAB9A (0.73) BRAFTOP2ASMN1; SMN2RAB9ANPC1
SCHEMBL4923804 0.76 MKNK1 (0.73) BRAFTOP2ASMN1; SMN2RAB9ANPC1
SCHEMBL4913665 0.75 SMN1; SMN2 (0.71) BRAFTOP2ASMN1; SMN2RAB9ANPC1
SCHEMBL4922091 0.74 RAB9A (0.63) BRAFTOP2ASMN1; SMN2RAB9ANPC1

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
CN-1556808-B Containing radicals based on N6Cosmetic preparation of heterocyclic compound of-substituted adenine UZTAF EXPERIMENT PLANT SOC CZ V 2010-04-28 — — CN disclosed
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