SCHEMBL5321111

SCHEMBL5321111

NCc1[nH]c(-c2ccnc(N)n2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.56
CDC7 O00311 10/20 0.56
CDK2 P24941 4/20 0.56
GSK3B P49841 4/20 0.56
CDK1 P06493 3/20 0.56
TAOK1 Q7L7X3 3/20 0.56
CDK9 P50750 3/20 0.56
CCNA2 P20248 2/20 0.56
CCNA1 P78396 2/20 0.56
IKBKB O14920 1/20 0.56
CCNT1 O60563 1/20 0.56
CCNB2 O95067 1/20 0.56
CCNE2 O96020 1/20 0.56
PRKCB P05771 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNE1 P24864 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
PLK4 O00444 2/20 0.48
MAPK13 O15264 2/20 0.48
DAPK3 O43293 2/20 0.48

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
Hydrochloric Acid SCHEMBL5492858 0.99 JAK2 (0.55) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL4187469 0.81 JAK2 (0.58) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL4179435 0.78 CDC7 (0.84) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL12095138 0.76 CDC7 (0.82) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL4190464 0.74 CDC7 (0.60) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL4194947 0.73 CDC7 (0.58) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL12095032 0.73 CDC7 (0.83) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL4188484 0.73 JAK2 (0.83) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL4190177 0.73 JAK2 (0.63) JAK2CDC7CDK2GSK3BCDK1
SCHEMBL1133473 0.73 JAK2 (0.56) JAK2CDC7CDK2GSK3BCDK1

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
WO-2007096334-A1 PYRROLOPYRROLONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-08-30 WO disclosed