SCHEMBL20155986

SCHEMBL20155986

C[C@H]1[C@@H](O)[C@H](n2c(NN)c(C(=N)NN)c3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.65
HSPA8 P11142 5/20 0.56
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCNA1 P78396 1/20 0.49
HSPA5 P11021 2/20 0.46
CDK5 Q00535 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CDK5R1 Q15078 1/20 0.46
ADK P55263 3/20 0.42
DOT1L Q8TEK3 2/20 0.42
DCLK1 O15075 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
ROS1 P08922 1/20 0.42
RPS6KB1 P23443 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42

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
SCHEMBL20155981 0.94 HIF1A (0.64) HIF1AHSPA8CDK1CDK2CCNB1
SCHEMBL20141988 0.91 HIF1A (0.77) HIF1AHSPA8CDK1CDK2CCNB1
SCHEMBL30131081 0.91 HIF1A (0.77) HIF1AHSPA8CDK1CDK2CCNB1
SCHEMBL22111053 0.91 HIF1A (0.77) HIF1AHSPA8CDK1CDK2CCNB1
SCHEMBL23745920 0.86 HIF1A (0.64) HIF1AHSPA8CDK1CDK2CCNB1
SCHEMBL25986354 0.86 HSPA8 (0.76) HIF1AHSPA8CDK1CDK2CCNB1
SCHEMBL20141359 0.85 HIF1A (0.75) HIF1AHSPA8CDK1CDK2CCNB1
SCHEMBL23950000 0.84 HIF1A (0.68) HIF1AHSPA8CDK1CDK2CCNB1
SCHEMBL20141370 0.82 HIF1A (0.81) HIF1AHSPA8CDK1CDK2CCNB1
SCHEMBL20156154 0.81 HIF1A (0.60) HIF1AHSPA8CDK1CDK2CCNB1

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-2018089306-A1 METHODS OF TREATING AND INHIBITING EBOLA VIRUS INFECTION OYAGEN, INC. (US) 2018-05-17 WO disclosed