SCHEMBL5531384

SCHEMBL5531384

COc1cc2c(nc1OC)c(-c1cc3c(CNC(CO)c4ccccc4)ccnc3[nH]1)cn2C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.46
IGF1R P08069 1/20 0.42
CD274 Q9NZQ7 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 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 SCHEMBL2994826 0.94 EGFR (0.42) EGFRIGF1RCCNT1CDK9CHUK
SCHEMBL2994829 0.87 IGF1R (0.37) EGFRIGF1RCCNT1CDK9CHUK
SCHEMBL5531129 0.86 IGF1R (0.42) EGFRIGF1RCD274
SCHEMBL2985996 0.84 IGF1R (0.48) EGFRIGF1RCCNT1CDK9CHUK
SCHEMBL2994815 0.82 IGF1R (0.47) EGFRIGF1RCCNT1CDK9CHUK
Trifluoroacetic Acid SCHEMBL2991605 0.81 IGF1R (0.38) EGFRIGF1RCD274CCNT1CDK9
SCHEMBL2982560 0.81 IGF1R (0.48) EGFRIGF1RCCNT1CDK9CHUK
SCHEMBL2996917 0.81 IGF1R (0.45) IGF1RCCNT1CDK9CHUKINSR
SCHEMBL5531332 0.80 IGF1R (0.42) IGF1RCCNT1CDK9CHUKINSR
SCHEMBL2991608 0.80 IGF1R (0.37) EGFRIGF1RCCNT1CDK9CHUK

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