SCHEMBL14421535

SCHEMBL14421535

COc1ccc(Nc2nc(Cl)nc(NC3CC3)n2)cc1CI

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.50
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ GAA P10253 2/20 0.43
▸ BCL6 P41182 2/20 0.42
▸ ULK1 O75385 1/20 0.42
▸ ULK2 Q8IYT8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ APP P05067 1/20 0.41
▸ CTSL P07711 3/20 0.40
▸ CTSS P25774 3/20 0.40
▸ CTSK P43235 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CTSB P07858 2/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ HTT P42858 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
SCHEMBL14533521 0.95 RAB9A (0.58) RAB9AMAPTSMN1; SMN2BCL6KMT2A
SCHEMBL14537505 0.87 MAPT (0.51) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL4829545 0.85 MAPT (0.60) RAB9AMAPTSMN1; SMN2GAABCL6
SCHEMBL14421446 0.85 CTSS (0.48) RAB9AMAPTSMN1; SMN2BCL6KMT2A
SCHEMBL14537238 0.85 SMN1; SMN2 (0.57) RAB9AMAPTSMN1; SMN2GAABCL6
SCHEMBL14533513 0.84 CTSS (0.50) RAB9AMAPTSMN1; SMN2BCL6KMT2A
SCHEMBL14635367 0.83 CTSS (0.45) RAB9AMAPTSMN1; SMN2BCL6ULK1
SCHEMBL14613060 0.83 CTSS (0.50) RAB9AMAPTSMN1; SMN2BCL6KMT2A
SCHEMBL4832399 0.83 RAB9A (0.53) RAB9AMAPTSMN1; SMN2GAABCL6
SCHEMBL14472384 0.81 SMN1; SMN2 (0.48) RAB9AMAPTSMN1; SMN2GAABCL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 — — US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 — — US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 — — US disclosed
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