SCHEMBL13985372

SCHEMBL13985372

N=C(N)N/N=C/c1ccc(NC(=O)Nc2ccc(/C=N/NC(=N)N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MGLL Q99685 5/20 0.50
FAAH O00519 4/20 0.50
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RRM1 P23921 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
SCHEMBL13985375 0.94 RAB9A (0.62) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13985370 0.93 NPC1 (0.64) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13985289 0.91 MGLL (0.49) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13985373 0.89 FAAH (0.63) RAB9ANPC1SMN1; SMN2CYP1A2NPSR1
SCHEMBL2949066 0.88 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL889783 0.87 PLK4 (0.47) MGLLFAAHESRRG
Hydrochloric Acid SCHEMBL9577859 0.86 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL13985368 0.86 KMT2A (0.50) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13985381 0.85 KMT2A (0.48) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10054978 0.84 KDM4E (0.63) RAB9ASMN1; SMN2CYP1A2KDM4EMEN1

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