SCHEMBL1665221

SCHEMBL1665221

C=C(C)CCCSc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ CDK1 P06493 4/20 0.45
▸ CCNB1 P14635 4/20 0.45
▸ CCNA2 P20248 4/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ CCNA1 P78396 4/20 0.45
▸ MGMT P16455 3/20 0.45
▸ PDPK1 O15530 1/20 0.44
▸ GDA Q9Y2T3 1/20 0.44
▸ POLA1 P09884 1/20 0.40
▸ XDH P47989 4/20 0.39
▸ PI4KA P42356 2/20 0.39
▸ PI4K2B Q8TCG2 2/20 0.39
▸ PI4K2A Q9BTU6 2/20 0.39
▸ PI4KB Q9UBF8 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ MAP3K5 Q99683 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
SCHEMBL5144928 0.81 XDH (0.56) KDRAURKBCDK1CCNB1CCNA2
SCHEMBL4408536 0.76 PDPK1 (0.56) KDRAURKBCDK1CCNB1CCNA2
SCHEMBL29677204 0.76 CDK2 (0.49) KDRAURKBCDK1CCNB1CCNA2
SCHEMBL136630 0.76 CDK2 (0.49) KDRAURKBCDK1CCNB1CCNA2
SCHEMBL29728815 0.73 PDPK1 (0.59) KDRAURKBCDK1CCNB1CCNA2
SCHEMBL258583 0.73 PDPK1 (0.59) KDRAURKBCDK1CCNB1CCNA2
SCHEMBL11414191 0.72 PDPK1 (0.51) KDRAURKBCDK1CCNB1CCNA2
SCHEMBL8332129 0.71 KDR (0.55) KDRAURKBCDK2MGMTPDPK1
Phosphoric Acid SCHEMBL214567 0.71 MGMT (0.44) KDRAURKBCDK1CCNB1CCNA2
SCHEMBL25228360 0.70 MGMT (0.43) KDRAURKBCDK1CCNB1CCNA2

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
EP-2307565-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2011-04-13 — — EP disclosed
WO-2009152353-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2009-12-17 — — WO disclosed
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