SCHEMBL4455866

SCHEMBL4455866

CC(C)CCc1ncnc2nc(N)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 4/20 0.38
▸ PI4K2B Q8TCG2 4/20 0.38
▸ PI4K2A Q9BTU6 4/20 0.38
▸ PI4KB Q9UBF8 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ NUDT1 P36639 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL6141622 0.86 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL9850315 0.72 NUDT1 (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL6577280 0.72 CYP1A2 (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL108321 0.70 LTB4R (0.55) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL5667619 0.70 ADORA2A (0.43) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL320848 0.70 NUDT1 (0.43) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL42314 0.69 ADORA2A (0.66) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL29400753 0.69 ADORA2A (0.66) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL28004545 0.69 PNP (0.38) PNPNOS3NOS1NOS2
SCHEMBL3802729 0.69 TSHR (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1

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
EP-2052612-A1 Herbicide combination Bayer CropScience AG (DE) 2009-04-29 — — EP disclosed
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