SCHEMBL3724299

SCHEMBL3724299

COC(=O)c1cc(-c2cnn(Cc3ccccc3)c2)c(Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.50
CREBBP Q92793 11/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK8 P45983 1/20 0.43

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
SCHEMBL3722206 0.89 POLQ (0.52) POLQCREBBPL3MBTL1KDM4EKMT2A
SCHEMBL13260970 0.83 POLQ (0.48) POLQCREBBPL3MBTL1KDM4EKMT2A
SCHEMBL3725838 0.81 KDM4E (0.45) CREBBPKDM4EKMT2ASMN1; SMN2POLB
SCHEMBL3724788 0.80 L3MBTL1 (0.52) POLQCREBBPL3MBTL1
SCHEMBL3724975 0.75 KDM4E (0.45) KDM4EKMT2ASMN1; SMN2POLBTDP1
SCHEMBL3724448 0.74 POLQ (0.41) POLQCREBBPKDM4EKMT2ASMN1; SMN2
SCHEMBL3765456 0.73 KLKB1 (0.53) CREBBPL3MBTL1KDM4EPOLBTDP1
SCHEMBL13260110 0.73 KDM4E (0.43) POLQCREBBPKDM4EKMT2ASMN1; SMN2
SCHEMBL3731459 0.73 L3MBTL1 (0.51) POLQCREBBPL3MBTL1KDM4ESMN1; SMN2
SCHEMBL13555495 0.73 L3MBTL1 (0.58) CREBBPL3MBTL1KDM4EPOLBTDP1

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
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed