SCHEMBL5531332

SCHEMBL5531332

COc1cc2c(nc1OC)c(-c1cc3c(CNC(C)(C)C(=O)O)ccnc3[nH]1)cn2C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
SYK P43405 1/20 0.36
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
BTK Q06187 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKB Q96GD4 1/20 0.35
CCNT1 O60563 16/20 0.35
CDK9 P50750 16/20 0.35
CHUK O15111 1/20 0.35
INSR P06213 1/20 0.35
MAPK8 P45983 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL2984502 0.97 IGF1R (0.40) IGF1RSYKJAK2LCKGSK3A
SCHEMBL2984504 0.89 IGF1R (0.39) IGF1RSYKJAK2LCKGSK3A
Trifluoroacetic Acid SCHEMBL2984463 0.86 IGF1R (0.40) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL2986378 0.85 IGF1R (0.41) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL2985996 0.84 IGF1R (0.48) IGF1RSYKJAK2LCKGSK3A
SCHEMBL2996917 0.84 IGF1R (0.45) IGF1RSYKJAK2LCKGSK3A
SCHEMBL5529651 0.84 CCNT1 (0.43) IGF1RGSK3BCCNT1CDK9
SCHEMBL2992501 0.83 IGF1R (0.40) IGF1RCCNT1CDK9
SCHEMBL2982560 0.83 IGF1R (0.48) IGF1RSYKJAK2LCKGSK3A
SCHEMBL2993969 0.82 IGF1R (0.39) IGF1RCCNT1CDK9

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-1799691-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-06-27 EP disclosed
WO-2006037875-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-04-13 WO disclosed