SCHEMBL1833600

SCHEMBL1833600

Cc1nn2ccc(N)nc2c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
NOS1 P29475 1/20 0.38
PIM1 P11309 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
JAK2 O60674 7/20 0.32
JAK1 P23458 4/20 0.32
TYK2 P29597 4/20 0.32
JAK3 P52333 4/20 0.32
KDM4E B2RXH2 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL4408877 0.85 PDE10A (0.43) NOS3NOS2NOS1PIM1SMPD3
SCHEMBL21863418 0.69 PIK3CG (0.57) SMN1; SMN2SMPD3JAK2JAK3PDE10A
SCHEMBL3833766 0.69 ALDH1A1 (0.38) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15280676 0.69 PIM1 (0.49) NOS3NOS2NOS1PIM1SMPD3
SCHEMBL14881481 0.69 HSD11B1 (0.41) JAK2PDE10APIK3CG
SCHEMBL24780620 0.67 JAK2 (0.35) PIM1SMN1; SMN2JAK2JAK1TYK2
SCHEMBL24616489 0.65 NOS3 (0.41) NOS3NOS2NOS1PIM1SMN1; SMN2
SCHEMBL1523849 0.65 KDM4E (0.47) NOS3NOS2NOS1SMN1; SMN2JAK2
SCHEMBL128480 0.65 PIK3CG (0.42) NOS3NOS2NOS1SMN1; SMN2KDM4E
SCHEMBL7456444 0.65 JAK2 (0.36) SMPD3JAK2PIK3CGALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352483-A1 HAIR COLOURING METHOD COMPRISING AFTERTREATMENT Henkel AG & Co. KGaA (DE) 2011-08-10 EP disclosed
EP-2320868-A2 HAIR PREPARATION COMPRISING SPIRULINA EXTRACT Henkel AG & Co. KGaA (DE) 2011-05-18 EP disclosed
WO-2010060730-A1 HAIR COLOURING METHOD COMPRISING AFTERTREATMENT HENKEL AG & CO. KGAA (DE) 2010-06-03 WO disclosed
WO-2010029005-A2 HAIR PREPARATION COMPRISING SPIRULINA EXTRACT HENKEL AG & CO. KGAA (DE) 2010-03-18 WO disclosed