SCHEMBL4051790

SCHEMBL4051790

CCOC(=O)N1C2CCC1c1cn3nc(-c4ccncc4)cc3nc1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 4/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRAF P15056 5/20 0.37
CLK1 P49759 1/20 0.37
UBE2N P61088 1/20 0.37
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL4054822 0.79 NPC1 (0.41) HPGDKDM4EHSD17B10MAPTMEN1
SCHEMBL7985907 0.71 L3MBTL1 (0.38) ALDH1A1KDM4EHSD17B10MAPK1MEN1
SCHEMBL11360559 0.69 CHRM1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL8221697 0.69 GPR65 (0.48)
SCHEMBL4046230 0.68 BRAF (0.44) MAPK1NPSR1MEN1KMT2ABRAF
SCHEMBL1013875 0.67 BRAF (0.62) MEN1KMT2ABRAF
SCHEMBL11368483 0.67 GPR65 (0.34) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL20425561 0.67 TSHR (0.45) MEN1TSHRKMT2AGAA
SCHEMBL884784 0.66 CHRM1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7993429 0.65 CHRM2 (0.36) HPGDALDH1A1KDM4EMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009108827-A1 FUSED TRICYCLIC PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed