SCHEMBL17982000

SCHEMBL17982000

C[Si](C)(C)CCOCn1c(-c2nc3ccc(-c4cccnc4)cc3o2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 2/20 0.39
CYP19A1 P11511 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
NAMPT P43490 2/20 0.38

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
SCHEMBL17969407 0.88 KDM4E (0.38) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL17969399 0.87 KDM4E (0.36) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL17969302 0.84 KDM4E (0.36) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL17969311 0.84 PIK3CD (0.39) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL17969313 0.83 FGFR1 (0.38) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL17969312 0.83 KDM4E (0.37) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL17969372 0.82 MAPT (0.46) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL17969377 0.80 KDM4E (0.35) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL18595736 0.79 KDM4E (0.36) HSD17B10KDM4EALDH1A1NPC1TP53
SCHEMBL18595753 0.78 KDM4E (0.35) HSD17B10KDM4EALDH1A1NPC1TP53

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-2016130501-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2016-08-18 WO disclosed