SCHEMBL4480331

SCHEMBL4480331

CCCCNC(=O)Nc1n[nH]c2cc(-c3ccc(C)cc3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.61
CYP1A2 P05177 3/20 0.53
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53

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
SCHEMBL4497067 0.93 GSK3B (0.64) GSK3BCYP1A2ABL1BCR
SCHEMBL4492112 0.91 GSK3B (0.61) GSK3BCYP1A2ABL1BCR
SCHEMBL4502574 0.90 GSK3B (0.57) GSK3BCYP1A2
SCHEMBL4492939 0.90 GSK3B (0.60) GSK3BABL1BCR
SCHEMBL4479022 0.90 GSK3B (0.71) GSK3BCYP1A2ABL1BCR
SCHEMBL4489897 0.88 HDAC1 (0.63) GSK3B
SCHEMBL12886269 0.88 GSK3B (0.58) GSK3BCYP1A2ABL1BCR
SCHEMBL4499724 0.88 GSK3B (0.62) GSK3BCYP1A2ABL1BCR
SCHEMBL4558529 0.88 GSK3B (0.65) GSK3BCYP1A2ABL1BCR
SCHEMBL4492570 0.86 GSK3B (0.59) GSK3BCYP1A2ABL1BCR

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-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed