SCHEMBL6601040

SCHEMBL6601040

Cc1nc(Cc2ccccc2)c(C(=O)C=CN(C)C)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.46
MAPT P10636 6/20 0.43
POLB P06746 4/20 0.40
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
LTB4R Q15722 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6600284 0.78 LMNA (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2943501 0.71 LTB4R (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL28305301 0.70 LTB4R (0.61) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL15515881 0.70 LTB4R (0.47) ALDH1A1SMN1; SMN2KMT2AGAAHTT
SCHEMBL6820910 0.69 LTB4R (0.44) ALDH1A1KMT2APOLBGAAHTT
SCHEMBL28647090 0.68 LTB4R (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL11121501 0.66 LTB4R (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL10858310 0.65 PIN1 (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10858317 0.65 PIN1 (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6552425 0.65 LTB4R (0.57) ALDH1A1KMT2AGAAHTTLTB4R

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
EP-1485375-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2003076435-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-09-18 WO disclosed