SCHEMBL6599035

SCHEMBL6599035

Cc1nc(C)n(C)c1C(=O)C=CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.40
ALDH1A1 P00352 8/20 0.40
RAB9A P51151 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 7/20 0.39
RECQL P46063 2/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 2/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6599032 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HTTALDH1A1RAB9AKMT2A
SCHEMBL4825098 0.80 ALDH1A1 (0.37) SMN1; SMN2HTTALDH1A1RAB9AKMT2A
SCHEMBL4825102 0.80 ALDH1A1 (0.37) SMN1; SMN2HTTALDH1A1RAB9AKMT2A
SCHEMBL4826664 0.80 RAB9A (0.37) SMN1; SMN2HTTALDH1A1RAB9AKMT2A
SCHEMBL4826666 0.80 RAB9A (0.37) SMN1; SMN2HTTALDH1A1RAB9AKMT2A
SCHEMBL18776600 0.73 HTT (0.40) SMN1; SMN2HTTALDH1A1RAB9AKMT2A
SCHEMBL4022143 0.70 MAPT (0.36) SMN1; SMN2HTTALDH1A1RAB9AKMT2A
SCHEMBL7964747 0.69 LMNA (0.65) SMN1; SMN2HTTALDH1A1RAB9AKMT2A
SCHEMBL5098850 0.69 HTT (0.42) SMN1; SMN2HTTALDH1A1RAB9AKMT2A
SCHEMBL5098848 0.69 HTT (0.42) SMN1; SMN2HTTALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed