SCHEMBL9987593

SCHEMBL9987593

CCn1cc(-c2cc3c(C#N)ccnc3[nH]2)c2nc(OC)c(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.40
CDK9 P50750 8/20 0.39
CDC7 O00311 1/20 0.39
PIM1 P11309 1/20 0.39
IGF1R P08069 1/20 0.39
CCNT1 O60563 7/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PDE4B Q07343 1/20 0.34
CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL2992440 0.89 IGF1R (0.49) TBK1CDK9CDC7PIM1IGF1R
SCHEMBL2993667 0.79 TBK1 (0.41) TBK1CDK9CDC7PIM1CCNT1
SCHEMBL5541427 0.77 IGF1R (0.41) CDK9CDC7PIM1IGF1RCCNT1
SCHEMBL1748948 0.76 IGF1R (0.64) TBK1CDK9CDC7PIM1IGF1R
SCHEMBL2982565 0.76 IGF1R (0.53) TBK1CDK9PIM1IGF1RCCNT1
SCHEMBL2985873 0.76 IGF1R (0.38) CDK9CDC7PIM1IGF1RCCNT1
SCHEMBL2989437 0.75 CCNT1 (0.42) CDK9IGF1RCCNT1CAMKK2
SCHEMBL2984402 0.75 IGF1R (0.51) TBK1CDK9CDC7PIM1IGF1R
SCHEMBL2989221 0.74 IGF1R (0.37) CDK9CDC7PIM1IGF1RCCNT1
SCHEMBL2985996 0.74 IGF1R (0.48) TBK1CDK9PIM1IGF1RCCNT1

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
EP-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP disclosed