SCHEMBL5686243

SCHEMBL5686243

NC(=O)c1cnc(Nc2ccc(N3CCOCC3)nc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 2/20 0.55
LMNA P02545 2/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.54
STAT3 P40763 1/20 0.53
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL5686325 0.85 RAB9A (0.56) SMN1; SMN2RAB9AJAK2
SCHEMBL357927 0.83 ALDH1A1 (0.71) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
Hydrochloric Acid SCHEMBL5013604 0.82 ALDH1A1 (0.69) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL4504400 0.80 RAB9A (0.52) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL12392903 0.79 MAPT (0.65) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL28694330 0.78 ALDH1A1 (0.64) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL2267512 0.76 MAPT (0.64) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL15273383 0.75 RAB9A (0.48) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL15273051 0.75 BTK (0.52) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL21379546 0.75 MAPT (0.70) MAPTSMN1; SMN2CYP1A2LMNACYP2C19

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-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed