SCHEMBL807840

SCHEMBL807840

O=C(NNc1cnc2ccc(Br)cc2n1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.44
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DYRK1A Q13627 8/20 0.39
GSK3B P49841 6/20 0.37
WNT1 P04628 3/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
SNCA P37840 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC4 P56524 1/20 0.34
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL797194 0.93 ABL1 (0.51) ABL1PIM1PIM2GSK3BPDGFRB
SCHEMBL27904307 0.84 ABL1 (0.41) ABL1PDGFRBPDGFRAHCAR2HDAC4
SCHEMBL797117 0.80 KMT2A (0.47) ABL1
SCHEMBL2621749 0.78 PDGFRB (0.45) DYRK1APDGFRBPDGFRACYP1A2
SCHEMBL19516307 0.71 ABL1 (0.76) ABL1DYRK1AGSK3BWNT1
SCHEMBL30005555 0.71 ABL1 (0.76) ABL1DYRK1AGSK3BWNT1
SCHEMBL808070 0.71 PDGFRB (0.39) PDGFRBPDGFRACYP1A2CYP2C19
SCHEMBL15133612 0.70 CA1 (0.39) ABL1PIM1GAAHDAC4
SCHEMBL20951979 0.68 DYRK1A (0.62) ABL1PIM1PIM2DYRK1AGSK3B
SCHEMBL28750182 0.68 ABL1 (0.44) ABL1HDAC4

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-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed