SCHEMBL9987808

SCHEMBL9987808

COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2C(C)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.39
CDK9 P50750 7/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CCNT1 O60563 5/20 0.36
CDC7 O00311 1/20 0.36
PIM1 P11309 1/20 0.36
IGF1R P08069 1/20 0.35
ATR Q13535 2/20 0.34
ATRIP Q8WXE1 2/20 0.34
CHUK O15111 1/20 0.33
MAPK8 P45983 1/20 0.33
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
SCHEMBL9987778 0.86 TBK1 (0.36) TBK1CDK9CDK1CDK2CASP3
SCHEMBL2987587 0.84 CDK9 (0.45) TBK1CDK9CDK1CDK2CASP3
SCHEMBL9987599 0.80 PIK3CA (0.33) TBK1CDK9CDK1CDK2CASP3
SCHEMBL2996608 0.80 GRIN2B (0.43) CDK9CDK1CDK2CASP3CASP7
SCHEMBL2984402 0.80 IGF1R (0.51) TBK1CDK9CDK1CCNT1CDC7
SCHEMBL2985824 0.78 IGF1R (0.38) TBK1CDK9CDK1CDK2CASP3
SCHEMBL5541427 0.76 IGF1R (0.41) CDK9CDK1CDK2CASP3CASP7
SCHEMBL2990078 0.75 CDK9 (0.38) CDK9CCNT1CDC7PIM1IGF1R
SCHEMBL2989437 0.75 CCNT1 (0.42) CDK9CCNT1IGF1RCHUKMAPK8
SCHEMBL27714423 0.75 IGF1R (0.38) CDK9CCNT1CDC7PIM1IGF1R

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 claimed