SCHEMBL16308183

SCHEMBL16308183

Cc1ccc2nc(C(F)F)n(-c3cc(N4CCOC[C@H]4C)nc(NCC4CCN(C(=O)OC(C)(C)C)CC4)n3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.40
CD274 Q9NZQ7 4/20 0.40
PIK3CB P42338 3/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38
TGFBR1 P36897 1/20 0.37
PIK3R1 P27986 6/20 0.37
PIK3CA P42336 6/20 0.37
CHEK1 O14757 3/20 0.37
MAPT P10636 1/20 0.36
PIK3CD O00329 1/20 0.36
BRD4 O60885 1/20 0.36
ATR Q13535 4/20 0.36
ATRIP Q8WXE1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL16308130 0.92 PDCD1 (0.49) PDCD1CD274PIK3CBPIK3CACHEK1
SCHEMBL16308099 0.92 PDCD1 (0.49) PDCD1CD274PIK3CBPIK3CACHEK1
SCHEMBL16308155 0.91 TGFBR1 (0.42) PIK3CBBCDIN3DTGFBR1PIK3R1PIK3CA
SCHEMBL15029967 0.90 PDCD1 (0.43) PDCD1CD274PIK3CBPIK3R1PIK3CA
SCHEMBL16308182 0.90 PDCD1 (0.40) PDCD1CD274PIK3CBPIK3R1PIK3CA
SCHEMBL17529091 0.89 PDCD1 (0.40) PDCD1CD274PIK3CBPIK3R1PIK3CA
SCHEMBL16308100 0.85 PIK3CB (0.46) PDCD1CD274PIK3CBPIK3R1PIK3CA
SCHEMBL16308132 0.85 PIK3CB (0.46) PDCD1CD274PIK3CBBCDIN3DPIK3R1
SCHEMBL16308131 0.85 PIK3CB (0.46) PDCD1CD274PIK3CBPIK3CAPIK3CD
SCHEMBL16308170 0.84 PDCD1 (0.42) PDCD1CD274PIK3CBPIK3R1PIK3CA

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
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed