SCHEMBL27738533

SCHEMBL27738533

NC(=O)c1ccccc1-c1c(-c2ccccc2)[nH]c(-c2nc(N)ncc2Br)c1I

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.62
JAK2 O60674 3/20 0.41
IKBKB O14920 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
PRKCB P05771 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
BCAT2 O15382 1/20 0.39
CLK1 P49759 2/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL28775682 0.91 CDC7 (0.64) CDC7JAK2IKBKBCCNT1CCNB2
SCHEMBL27759244 0.91 CDC7 (0.52) CDC7JAK2IKBKBCCNT1CCNB2
SCHEMBL3603923 0.84 CDC7 (0.65) CDC7JAK2IKBKBCCNT1CCNB2
SCHEMBL28779560 0.82 CDC7 (0.80) CDC7JAK2IKBKBCCNT1CCNB2
SCHEMBL27759272 0.80 CDC7 (0.70) CDC7JAK2IKBKBCCNT1CCNB2
SCHEMBL4183402 0.78 CDC7 (0.66) CDC7JAK2IKBKBCCNT1CCNB2
SCHEMBL4182044 0.77 CDC7 (1.00) CDC7JAK2IKBKBCCNT1CCNB2
SCHEMBL4187750 0.74 CDC7 (0.65) CDC7JAK2IKBKBCCNT1CCNB2
SCHEMBL3596692 0.73 CDC7 (0.52) CDC7NPC1RAB9AKDM4E
SCHEMBL27759394 0.72 CDC7 (0.64) CDC7JAK2IKBKBCCNT1CCNB2

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
CN-101410387-A Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furan-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-04-15 CN disclosed