SCHEMBL6821626

SCHEMBL6821626

CN(C)C=CC(=O)c1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.50
ALDH1A1 P00352 10/20 0.44
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 3/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 8/20 0.39
GAA P10253 3/20 0.39
HTT P42858 3/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LATS1 O95835 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL6821893 0.78 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KMT2AMAPTCYP1A2
SCHEMBL1828996 0.77 KDM4E (0.39) ALDH1A1SMN1; SMN2KMT2AMAPTHPGD
SCHEMBL18065068 0.75 TRPM8 (0.36)
SCHEMBL1830315 0.74 KCNN4 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL23251391 0.72 RECQL (0.61) RECQLALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL30046046 0.72 RECQL (0.61) RECQLALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL10896790 0.72 L3MBTL1 (0.39) RAB9ASMN1; SMN2KMT2AMAPTGAA
SCHEMBL7974226 0.71 KDM4E (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL7406367 0.70 MAPT (0.33) ALDH1A1KMT2AMAPTHTT
SCHEMBL7405033 0.70 KCNN4 (0.36) MEN1KMT2AHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002020512-A9 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-05-06 WO disclosed
EP-1351958-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION AstraZeneca AB (SE) 2003-10-15 EP disclosed
WO-2002020512-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2002-03-14 WO disclosed