SCHEMBL7801908

SCHEMBL7801908

CCCc1cc(N2CCOc3ccc(-c4cnc5nc(C)[nH]c5c4)cc3C2)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.39
CREBBP Q92793 3/20 0.32
MTOR P42345 1/20 0.32
SYK P43405 1/20 0.31
LCK P06239 1/20 0.31
MAP4K3 Q8IVH8 1/20 0.31
MAP4K1 Q92918 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL7823696 0.88 PIK3CA (0.42) PIK3CACREBBPMTORBRD4
SCHEMBL3765213 0.84 PIK3CA (0.42) PIK3CACREBBPMTORLCKMAP4K3
SCHEMBL7816565 0.83 PIK3CA (0.38) PIK3CACREBBPMTORKMT2A
SCHEMBL859033 0.82 PIK3CA (0.38) PIK3CACREBBPMTORLCKMAP4K3
SCHEMBL856855 0.82 PIK3CA (0.39) PIK3CACREBBPMTORLCKMAP4K3
SCHEMBL856827 0.81 PIK3CA (0.38) PIK3CACREBBPMTORSYK
SCHEMBL857892 0.80 PIK3CA (0.38) PIK3CACREBBPMTOR
SCHEMBL859214 0.79 PIK3CA (0.49) PIK3CACREBBP
SCHEMBL3760531 0.78 PIK3CA (0.39) PIK3CACREBBPMTORLCKMAP4K3
SCHEMBL855888 0.78 PIK3CA (0.39) PIK3CACREBBPMTORLCKMAP4K3

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-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-11-25 WO disclosed