SCHEMBL6989098

SCHEMBL6989098

COc1cccc(CCn2ccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
MTOR P42345 1/20 0.57
RAB9A P51151 1/20 0.57
HIF1A Q16665 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
GMNN O75496 1/20 0.56
LMNA P02545 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL5053564 0.85 CYP19A1 (0.72) CYP1A2CYP3A4CYP2D6MAPTCYP19A1
SCHEMBL11232092 0.81 CYP19A1 (0.55) MAPTCYP19A1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14416013 0.81 CHRM2 (0.60) TSHRRAB9AKMT2AMEN1MAPT
SCHEMBL11236509 0.81 ALDH1A1 (0.55) RAB9AMAPTLMNACYP19A1ALDH1A1
SCHEMBL6987181 0.81 CYP11B1 (0.72) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL14464749 0.80 ALDH1A1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL27508985 0.78 CYP11B1 (0.51) CYP1A2CYP3A4CYP2D6KMT2AMAPT
SCHEMBL6988826 0.78 CYP11B1 (0.72) CYP1A2CYP3A4CYP2D6KMT2AMEN1
SCHEMBL6991263 0.78 CYP11B1 (0.72) HMOX1CYP19A1QPCT
SCHEMBL1719741 0.78 CYP11B1 (0.72) HMOX1CYP19A1ALDH1A1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
CN-1070368-C A method for preparing a medical composition conpaining imidazo[2,1-b][3] benzo azepine dericvants JANSSEN PHARMACEUTICA NV (BE) 2001-09-05 CN disclosed
CN-1142360-A A method for preparing a medical composition conpaining imidazo[2,1-b][3] benzo azepine dericvants YUAN ANLING (CN) 1997-02-12 CN disclosed
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 US disclosed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed