SCHEMBL3561141

SCHEMBL3561141

CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(N(C(N)=O)N5CCN(C)CC5)cc43)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.40
EGFR P00533 1/20 0.35
RAB9A P51151 7/20 0.35
NPC1 O15118 6/20 0.34
POLB P06746 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DYRK3 O43781 4/20 0.34
DYRK1A Q13627 4/20 0.34
DYRK2 Q92630 4/20 0.34
DYRK1B Q9Y463 4/20 0.34
CLK1 P49759 3/20 0.34
CLK2 P49760 3/20 0.34
CLK3 P49761 3/20 0.34
GSK3B P49841 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
PIM1 P11309 2/20 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
SCHEMBL3561137 1.00 CSF1R (0.40) CSF1REGFRRAB9ANPC1POLB
SCHEMBL3570497 0.87 CDK4 (0.36) CSF1RMAPT
SCHEMBL3570500 0.87 CDK4 (0.36) CSF1RMAPT
SCHEMBL3569499 0.81 ALDH1A1 (0.44) CSF1REGFRMAPTDYRK3DYRK1A
SCHEMBL3569494 0.81 ALDH1A1 (0.44) CSF1REGFRMAPTDYRK3DYRK1A
SCHEMBL3567249 0.81 CSF1R (0.48) CSF1RRAB9ANPC1POLBMAPT
SCHEMBL3567242 0.81 CSF1R (0.48) CSF1RRAB9ANPC1POLBMAPT
SCHEMBL3571309 0.81 CSF1R (0.44) CSF1RRAB9ANPC1POLBCSNK2A2
SCHEMBL3571312 0.81 CSF1R (0.44) CSF1RRAB9ANPC1POLBCSNK2A2
SCHEMBL13343924 0.80 ALDH1A1 (0.43) CSF1RMAPTHSD17B10DYRK3DYRK1A

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
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US claimed