SCHEMBL13985289

SCHEMBL13985289

CNC(=O)Nc1ccc(/C=N/NC(=N)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.49
FAAH O00519 4/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.45

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
SCHEMBL13985372 0.91 RAB9A (0.52) MGLLFAAHRAB9ANPC1SMN1; SMN2
SCHEMBL13985375 0.86 RAB9A (0.62) MGLLRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL2949066 0.85 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13985370 0.84 NPC1 (0.64) MGLLFAAHRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL9577859 0.84 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13985373 0.84 FAAH (0.63) MGLLFAAHRAB9ANPC1SMN1; SMN2
SCHEMBL13985381 0.83 KMT2A (0.48) MGLLFAAHRAB9ANPC1SMN1; SMN2
SCHEMBL889783 0.82 PLK4 (0.47) MGLLFAAHESRRG
SCHEMBL13985368 0.81 KMT2A (0.50) MGLLRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL10054978 0.79 KDM4E (0.63) RAB9ASMN1; SMN2CYP1A2KMT2AALDH1A1

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-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed