SCHEMBL27669891

SCHEMBL27669891

C=C(C)CCc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ MGMT P16455 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL9656467 0.83 ADORA2A (0.32) ADORA2AADORA1
SCHEMBL11222090 0.83 PDPK1 (0.32) —
SCHEMBL2060117 0.81 KDM4E (0.35) ADORA2AADORA1
SCHEMBL215053 0.80 ADORA2A (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL9656738 0.80 ADORA2A (0.31) ADORA2AADORA1
Hydrochloric Acid SCHEMBL7735731 0.79 ADORA2A (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6379581 0.79 HRH2 (0.37) —
SCHEMBL7490404 0.78 ADORA2A (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL136630 0.77 CDK2 (0.49) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL28873089 0.77 GDA (0.36) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1984559-B Plant cultivation method SYNGENTA PARTICIPATIONS AG 2013-04-17 — — CN disclosed
CN-1984559-A Plant cultivation method SYNGENTA PARTICIPATIONS AG (CH) 2007-06-20 — — CN disclosed
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