SCHEMBL9705370

SCHEMBL9705370

Sc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 7/20 0.37
PI4K2B Q8TCG2 7/20 0.37
PI4K2A Q9BTU6 7/20 0.37
PI4KB Q9UBF8 7/20 0.37
EGFR P00533 1/20 0.36
ADORA2A P29274 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
DAPK1 P53355 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL6699970 0.81 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL16783778 0.75 ADORA3 (0.39) ADORA2ACDK1
SCHEMBL30668845 0.72 CYP11B1 (0.37) EGFRADORA2ACYP11B1CYP11B2
SCHEMBL20637862 0.72 CYP11B1 (0.37) EGFRADORA2ACYP11B1CYP11B2
SCHEMBL5857609 0.72 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL63354 0.71 CDK1 (0.61) ADORA2ACDK1
SCHEMBL17892682 0.71 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL28083639 0.70 CYP1A2 (0.44) CYP11B1CYP11B2
SCHEMBL13012219 0.70 TYMP (0.45)
SCHEMBL4599284 0.69 PI4KA (0.32) PI4KAPI4K2BPI4K2API4KBCDK1

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
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO disclosed