SCHEMBL8929547

SCHEMBL8929547

c1cc(Cc2ncnc3[nH]ccc23)ccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
JAK2 O60674 4/20 0.41
AKT2 P31751 1/20 0.40
GSK3B P49841 1/20 0.40
CSF1R P07333 1/20 0.40
JAK3 P52333 6/20 0.40
JAK1 P23458 4/20 0.40
TYK2 P29597 3/20 0.40
TTBK1 Q5TCY1 3/20 0.40
TTBK2 Q6IQ55 3/20 0.40
NOTUM Q6P988 1/20 0.39
NUDT1 P36639 1/20 0.39
TRPA1 O75762 1/20 0.39
PRKCI P41743 2/20 0.39
AXL P30530 1/20 0.39

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
SCHEMBL8929582 0.85 CDC7 (0.57) CDC7DBF4JAK2CSF1RJAK3
SCHEMBL24345975 0.75 AKT2 (0.50) CDC7DBF4JAK2AKT2GSK3B
SCHEMBL22346237 0.75 HDAC6 (0.62) JAK2JAK1TTBK1TTBK2
SCHEMBL8929550 0.75 CYP17A1 (0.42) CDC7DBF4JAK2AKT2GSK3B
SCHEMBL4006768 0.74 TTBK1 (0.48) CDC7DBF4JAK2AKT2GSK3B
SCHEMBL14355258 0.74 JAK2 (0.47) CDC7DBF4JAK2AKT2GSK3B
Hydrochloric Acid SCHEMBL4974811 0.74 AKT2 (0.49) CDC7DBF4JAK2AKT2GSK3B
SCHEMBL8930212 0.74 DAO (0.42) CDC7DBF4AKT2NUDT1AXL
SCHEMBL8928889 0.73 JAK3 (0.42) CDC7DBF4JAK2AKT2GSK3B
SCHEMBL20220690 0.71 TTBK1 (0.49) CDC7DBF4JAK2AKT2GSK3B

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