SCHEMBL13325997

SCHEMBL13325997

COc1cc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.60
▸ FLT3 P36888 1/20 0.54
▸ PDE4A P27815 1/20 0.53
▸ PTK2 Q05397 3/20 0.52
▸ CTSL P07711 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ CCR4 P51679 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ EPHB4 P54760 1/20 0.46

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
SCHEMBL13326019 0.87 RAB9A (0.66) RAB9APDE4ACTSLCTSSCTSK
SCHEMBL13326054 0.83 ALDH1A1 (0.57) RAB9AFLT3PDE4ACTSSCTSK
SCHEMBL4829781 0.83 RAB9A (0.65) RAB9APDE4ACTSLCTSSCTSK
SCHEMBL14293830 0.82 RAB9A (0.67) RAB9APDE4ACTSLCTSSCTSK
SCHEMBL4838260 0.81 RAB9A (0.62) RAB9APDE4ACTSLCTSSCTSK
SCHEMBL13325996 0.81 PTK2 (0.62) FLT3PTK2MEN1MAPTKMT2A
SCHEMBL3287809 0.80 CTSL (0.54) FLT3PTK2CTSLCTSSCTSK
SCHEMBL13326006 0.80 RAB9A (0.74) RAB9APDE4ACTSLCTSSCTSK
SCHEMBL4836573 0.79 BCL6 (0.68) RAB9ACTSLCTSSCTSKCCR4
SCHEMBL14533521 0.79 RAB9A (0.58) RAB9APDE4ACTSLCTSSCTSK

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-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 — — US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 — — US disclosed
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