SCHEMBL1809684

SCHEMBL1809684

CCC(CC)(CC)C(O)(O)O.c1cnc2[nH]cnc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
AXL P30530 1/20 0.32
NUDT1 P36639 1/20 0.32
JAK3 P52333 1/20 0.32
POLB P06746 1/20 0.31
MAP2K1 Q02750 1/20 0.31
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
PARP1 P09874 2/20 0.30
NAMPT P43490 1/20 0.30
ACVR1 Q04771 1/20 0.30
PDPK1 O15530 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL29431626 0.80
SCHEMBL10759 0.80
SCHEMBL2446692 0.78 MAPK1 (0.46) KDM4EALDH1A1GLAGAAHPGD
Ammonia Solution, Strong SCHEMBL8971987 0.78 MAPK1 (0.46) KDM4EALDH1A1GLAGAAHPGD
Hydrochloric Acid SCHEMBL29424070 0.78 MAPK1 (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8653543 0.75 TLR8 (0.35) KDM4EALDH1A1GLAGAAHPGD
Formic Acid SCHEMBL29774382 0.74 KMT2A (0.42) KDM4EALDH1A1GLAGAAHPGD
Trifluoroacetic Acid SCHEMBL29858985 0.72 L3MBTL1 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL28135793 0.67 QPCT (0.49) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL28135193 0.67 DAO (0.42) KDM4EALDH1A1GLAGAAHPGD

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-2493895-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2012-09-05 EP disclosed
WO-2011051452-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2011-05-05 WO disclosed