SCHEMBL7489441

SCHEMBL7489441

CCCc1n[c]c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.41
ADORA2B P29275 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NR1I2 O75469 1/20 0.40
ADORA2A P29274 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
HIF1A Q16665 1/20 0.39
TNF P01375 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PNP P00491 2/20 0.39

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
SCHEMBL7492336 0.94 PDE4A (0.39) YTHDC1ADORA2BSMN1; SMN2RXFP1ADORA2A
SCHEMBL7488243 0.93 ADORA2B (0.40) YTHDC1ADORA2BSMN1; SMN2RXFP1ADORA2A
SCHEMBL7492011 0.92 CYP19A1 (0.40) YTHDC1ADORA2BSMN1; SMN2RXFP1POLB
SCHEMBL7488831 0.91 ADORA2A (0.44) YTHDC1ADORA2BSMN1; SMN2RXFP1ADORA2A
SCHEMBL7488843 0.83 CNOT7 (0.43) ADORA2BADORA2AHTTPDE4APDE4B
SCHEMBL7484132 0.82 YTHDC1 (0.44) YTHDC1ADORA2BSMN1; SMN2RXFP1ADORA2A
SCHEMBL7492592 0.82 TSHR (0.45) ADORA2BADORA2APOLB
SCHEMBL7491743 0.81 TSHR (0.41) ADORA2BADORA2APOLB
SCHEMBL7488311 0.80 TSHR (0.41) ADORA2BADORA2APOLB
SCHEMBL7486698 0.80 TSHR (0.41) ADORA2BADORA2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 EP disclosed