SCHEMBL4753554

SCHEMBL4753554

COCn1c(C)nc2c(Cl)c(Br)cnc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
CSNK2A1 P68400 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE1B Q01064 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A3 Q8NEV1 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
SCHEMBL4751475 0.80 CDK4 (0.32)
SCHEMBL4754028 0.80
SCHEMBL4754879 0.74 HTR6 (0.40) PDE10AHSD17B10
SCHEMBL14030991 0.63 HPGD (0.36) CSNK2A1PIM1CSNK2A2CSNK2BCSNK2A3
SCHEMBL1134996 0.60 ALDH1A1 (0.33)
SCHEMBL16539926 0.59 DGAT1 (0.38) PDE10AMAPT
SCHEMBL14697559 0.59 DGAT1 (0.38) TSHRHSD17B10
SCHEMBL17509954 0.58 TDP1 (0.41) LMNAMAPTTSHRHSD17B10
SCHEMBL14905348 0.58 EGFR (0.41) PDE10A
SCHEMBL10341293 0.57 ALDH1A1 (0.32) LMNAMAPTTSHRHSD17B10

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-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed