SCHEMBL5320286

SCHEMBL5320286

CCCCOC(=O)c1ccc(Nc2ncnc(N)c2C(=N)OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
TP53 P04637 2/20 0.61
RAB9A P51151 6/20 0.57
HPGD P15428 5/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 4/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE4D Q08499 1/20 0.51
RECQL P46063 1/20 0.47
PKM P14618 1/20 0.46
EGFR P00533 2/20 0.45
KDR P35968 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL5321020 0.86 RAB9A (0.52) MAPTTP53RAB9AHPGDALDH1A1
SCHEMBL5319593 0.83 RAB9A (0.49) MAPTTP53RAB9AHPGDKDM4E
SCHEMBL1095704 0.79 MAPT (0.58) MAPTTP53RAB9AHPGDALDH1A1
SCHEMBL1105403 0.79 MAPT (0.58) MAPTTP53RAB9AHPGDALDH1A1
SCHEMBL5317978 0.78 MAPT (0.59) MAPTTP53RAB9AHPGDALDH1A1
SCHEMBL4772394 0.75 RAB9A (0.65) MAPTTP53RAB9AHPGDALDH1A1
SCHEMBL18117673 0.75 MAPT (0.60) MAPTTP53RAB9AHPGDALDH1A1
SCHEMBL10940888 0.74 HPGD (0.74) MAPTTP53RAB9AHPGDALDH1A1
SCHEMBL15786285 0.72 MAPT (0.66) MAPTTP53RAB9AHPGDALDH1A1
SCHEMBL1094546 0.72 PIK3CG (0.52) ALDH1A1KDM4ELMNAEGFRKDR

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
WO-2007081630-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO claimed
WO-2007081630-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO disclosed