SCHEMBL845236

SCHEMBL845236

Cc1cccc2cc(C(C)N)c(N3CCCC3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
TSHR P16473 4/20 0.59
CASP1 P29466 4/20 0.59
CASP7 P55210 4/20 0.59
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 5/20 0.47
USP2 O75604 2/20 0.47
CLK1 P49759 1/20 0.47
PIK3CD O00329 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 4/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL715736 1.00 ALOX15 (0.59) ALOX15L3MBTL1TSHRCASP1CASP7
SCHEMBL715249 0.85 HPGD (0.43) ALOX15L3MBTL1TSHRCASP1CASP7
SCHEMBL717258 0.84 PIK3CD (0.53) ALOX15L3MBTL1TSHRCASP1CASP7
SCHEMBL717259 0.84 PIK3CD (0.53) ALOX15L3MBTL1TSHRCASP1CASP7
SCHEMBL17530798 0.83 L3MBTL1 (0.52) ALOX15L3MBTL1TSHRCASP1CASP7
SCHEMBL715528 0.81 MAPT (0.47) ALOX15L3MBTL1TSHRCASP1CASP7
SCHEMBL715529 0.81 MAPT (0.47) ALOX15L3MBTL1TSHRCASP1CASP7
SCHEMBL716475 0.80 PIK3CD (0.40) ALOX15L3MBTL1TSHRCASP1CASP7
SCHEMBL15875825 0.80 L3MBTL1 (0.54) ALOX15L3MBTL1TSHRCASP1CASP7
SCHEMBL715662 0.79 PIK3CD (0.55) ALOX15L3MBTL1TSHRCASP1CASP7

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-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed