SCHEMBL7797565

SCHEMBL7797565

Cc1n[nH]c(C)c1-c1nc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.46
CHEK1 O14757 1/20 0.46
DYRK1A Q13627 1/20 0.38
ACVR1 Q04771 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
ENPP1 P22413 1/20 0.33
XIAP P98170 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 3/20 0.33
BRD4 O60885 2/20 0.32
BRD2 P25440 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL17476699 0.73 AKT2 (0.50) AKT2CHEK1DYRK1AACVR1MAPK1
SCHEMBL17561029 0.72 AKT2 (0.58) AKT2CHEK1DYRK1AACVR1MAPK1
SCHEMBL16209719 0.67 AKT2 (0.79) AKT2CHEK1DYRK1AACVR1MAPK1
SCHEMBL16181370 0.67
SCHEMBL6434684 0.64 CD44 (0.41) ALDH1A1LMNAMAPTHSD17B10NPSR1
SCHEMBL11996675 0.64 NPC1 (0.36) SMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL3279505 0.63 MAP4K1 (0.40) SMN1; SMN2
SCHEMBL15489054 0.63 AOC3 (0.35) NPSR1
SCHEMBL1230218 0.63 METAP2 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL21262737 0.63 AKT2 (0.70) AKT2CHEK1DYRK1AACVR1SMN1; SMN2

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-20010027242-A1 Low monomer content NCO prepolymers based on DEGUSSA AG (DE) 2001-10-04 US claimed