SCHEMBL7860981

SCHEMBL7860981

C=C(c1ccccc1/C=C\C)N1CCOc2ccc(-c3ccc4nc(NC(=O)OC)[nH]c4c3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 8/20 0.45
▸ LMNA P02545 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ GPR142 Q7Z601 4/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL2727189 0.80 PIK3CA (0.51) PIK3CACREBBP
SCHEMBL7878242 0.79 PIK3CA (0.48) PIK3CALMNAHPGDSMN1; SMN2POLB
SCHEMBL13173994 0.78 PIK3CA (0.48) PIK3CALMNAHPGDSMN1; SMN2POLB
SCHEMBL15603621 0.77 LMNA (0.45) PIK3CALMNAHPGDSMN1; SMN2POLB
SCHEMBL13174050 0.77 PIK3CA (0.46) PIK3CALMNAHPGDSMN1; SMN2POLB
SCHEMBL3792121 0.77 PIK3CA (0.68) PIK3CA
SCHEMBL13173983 0.76 PIK3CA (0.48) PIK3CALMNAHPGDSMN1; SMN2POLB
SCHEMBL7877195 0.76 PIK3CA (0.48) PIK3CALMNAHPGDSMN1; SMN2POLB
SCHEMBL13173995 0.76 PIK3CA (0.46) PIK3CALMNAHPGDSMN1; SMN2POLB
SCHEMBL7877202 0.76 PIK3CA (0.51) PIK3CALMNAHPGDSMN1; SMN2POLB

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
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 — — WO disclosed
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