SCHEMBL8929626

SCHEMBL8929626

c1ccc2c(c1)CCC(Cc1ncnc3[nH]ccc13)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
AKT2 P31751 4/20 0.44
GSK3B P49841 2/20 0.44
JAK3 P52333 5/20 0.41
KIT P10721 1/20 0.40
JAK2 O60674 4/20 0.40
LCK P06239 1/20 0.40
HPGDS O60760 1/20 0.39
TYK2 P29597 1/20 0.39
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
JAK1 P23458 2/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
NUDT1 P36639 1/20 0.38
DOT1L Q8TEK3 1/20 0.38

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
SCHEMBL14594862 0.77 JAK3 (0.54) AKT2GSK3BJAK3KITJAK2
SCHEMBL8929835 0.73 HPGDS (0.63) JAK3HPGDSTTBK1TTBK2JAK1
SCHEMBL24121886 0.73 AKT2 (0.52) AKT2GSK3BJAK3KITJAK2
SCHEMBL8929293 0.72 JAK3 (0.62) AKT2GSK3BJAK3KITJAK2
SCHEMBL8929274 0.72 CDC7 (0.46) AKT2GSK3BJAK3KITJAK2
Hydrochloric Acid SCHEMBL8929253 0.72 HPGDS (0.61) JAK3HPGDSTTBK1TTBK2JAK1
SCHEMBL3530525 0.72 JAK1 (0.67) JAK3JAK2TYK2JAK1
SCHEMBL6642228 0.68 HPGDS (0.67) JAK3HPGDSTTBK1TTBK2
SCHEMBL24345975 0.66 AKT2 (0.50) AKT2GSK3BJAK3JAK2HPGDS
SCHEMBL8929582 0.66 CDC7 (0.57) JAK3JAK2TTBK1TTBK2JAK1

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-0795556-A1 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors PHARMACIA & UPJOHN S.p.A. (IT) 1997-09-17 EP claimed
EP-0795556-A1 4-Substituted pyrrolopyrimidine compounds as tyrosin kinase inhibitors PHARMACIA & UPJOHN S.p.A. (IT) 1997-09-17 EP disclosed