SCHEMBL3728202

SCHEMBL3728202

c1cnc2c(NC3CCCC3)ncnc2n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HTT P42858 3/20 0.54
PAK1 Q13153 1/20 0.54
PKM P14618 2/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGDS O60760 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
NFKB1 P19838 1/20 0.51
ADORA1 P30542 1/20 0.51
THPO P40225 1/20 0.51
PMP22 Q01453 1/20 0.51
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44

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
SCHEMBL22872893 0.74 MAP4K4 (0.49) PKMHPGDSCYP1A2CYP3A4CYP2D6
SCHEMBL5452621 0.71 LMNA (0.60) LMNAHTTPAK1PKMHSD17B10
SCHEMBL13057427 0.71 ADORA1 (0.50) LMNAHTTPAK1PKMHSD17B10
SCHEMBL5458071 0.70 LMNA (0.61) LMNAHTTPAK1PKMHSD17B10
SCHEMBL797230 0.70 LMNA (0.61) LMNAHTTPAK1PKMHSD17B10
SCHEMBL9202451 0.70 HTT (1.00) LMNAHTTPAK1PKMHSD17B10
SCHEMBL797231 0.69 LMNA (1.00) LMNAHTTPAK1PKMHSD17B10
SCHEMBL1322040 0.68 ADORA1 (1.00) PKMCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL11832616 0.68 YTHDC1 (0.59) LMNAHTTPAK1PKMHSD17B10
SCHEMBL9205078 0.68 LMNA (0.56) LMNAHTTPAK1PKMHSD17B10

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-9063122-B2 Biomodulators for treatment or prevention of disease GALLEGOS ALFREDO (MX) 2015-06-23 US disclosed
US-20100130421-A1 BIOMODULATORS FOR TREATMENT OR PREVENTION OF DISEASE GALLEGOS ALFREDO 2010-05-27 US disclosed