SCHEMBL27804977

SCHEMBL27804977

CC(=O)N1CCN(c2cc(C3CNCCO3)nc(N3CCN(c4ccccc4)CC3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.48
▸ KDR P35968 2/20 0.44
▸ SYK P43405 2/20 0.44
▸ GBA1 P04062 5/20 0.43
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL27967265 0.90 MAPT (0.40) PIK3CAMAPTALOX15
SCHEMBL27825633 0.87 CASP1 (0.44) MAPTALOX15
SCHEMBL27825621 0.86 MAPT (0.35) PIK3CAPIK3CBMAPTALOX15
SCHEMBL27805012 0.82 ALDH1A1 (0.38) KDRSYKMAPT
SCHEMBL27805094 0.80 NCF1 (0.34) PIK3CAPIK3CBMAPTALOX15
SCHEMBL27804980 0.79 MAPT (0.43) KDRSYKGBA1CKS1BSKP1
SCHEMBL1124037 0.79 PIK3CA (0.65) PIK3CAGBA1PIK3CDPIK3R1PIK3CB
SCHEMBL27825623 0.79 CETP (0.36) MAPT
SCHEMBL27967345 0.77 MAPT (0.40) KDRSYKGBA1MAPT
SCHEMBL28786910 0.75 MAPT (0.47) PIK3CAUSP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 — — CN claimed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 — — CN claimed
CN-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 — — CN disclosed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 — — CN disclosed
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