SCHEMBL13773349

SCHEMBL13773349

Cn1cnc2c(Cn3c(N)nc4ccc(C(=O)O)cc43)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ ACSS2 Q9NR19 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NOD1 Q9Y239 2/20 0.40
▸ TNF P01375 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ AGTR1 P30556 4/20 0.39
▸ AGTR2 P50052 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GLP1R P43220 5/20 0.38

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
SCHEMBL12226879 0.88 PDE2A (0.41) CDK1CDK4CDK2MEN1GAA
SCHEMBL8283870 0.83 TNF (0.41) HTTKMT2ANOD1TNFNOD2
SCHEMBL8283878 0.82 TNF (0.40) CDK1CDK4CDK2HTTKMT2A
SCHEMBL13773411 0.82 CDK1 (0.45) CDK1CDK4CDK2ACSS2GAA
SCHEMBL8283871 0.80 NPC1 (0.48) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL8283872 0.77 TNF (0.41) HTTKMT2ANOD1TNFNOD2
SCHEMBL8285693 0.76 TNF (0.40) HTTKMT2ANOD1TNFNOD2
SCHEMBL8285557 0.74 ADORA2A (0.44) KMT2ANOD1TNFNOD2ALDH1A1
SCHEMBL13773410 0.72 CDK1 (0.42) CDK1CDK4CDK2KMT2ANOD1
SCHEMBL8284609 0.71 NPC1 (0.45) CDK1CDK4CDK2MEN1MAPT

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
EP-1697343-B1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-07-01 — — EP disclosed
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