SCHEMBL29680686

SCHEMBL29680686

CN(C)CCCCNCc1ccc(-c2cc(-c3ccc(CNCCCCN(C)C)cc3)c3cc[nH]c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
JAK1 P23458 9/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
NEK1 Q96PY6 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CHEK1 O14757 1/20 0.36
BPTF Q12830 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MOK Q9UQ07 1/20 0.35

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
Oxalic Acid SCHEMBL29680687 0.94 JAK1 (0.43) TERTCCNA2CDK2JAK1IKBKB
SCHEMBL29680684 0.80 AKT1 (0.48) CDK2JAK1IKBKBCHUK
SCHEMBL24528665 0.76 NEK1 (0.36) JAK1IKBKBCHUKNEK1BPTF
SCHEMBL29680982 0.76 NEK1 (0.36) JAK1IKBKBCHUKNEK1BPTF
Oxalic Acid SCHEMBL29680336 0.76 AKT1 (0.46) JAK1
SCHEMBL29680804 0.76 TERT (0.41) TERTCCNA2CDK2HRH4HRH3
SCHEMBL29680300 0.74 HRH3 (0.40) TERTCCNA2CDK2HRH3MOK
Oxalic Acid SCHEMBL29680556 0.71 MOK (0.40) TERTCCNA2CDK2HRH3MOK
Oxalic Acid SCHEMBL29680719 0.71 PDK1 (0.45) TERTCCNA2CDK2JAK1BPTF
SCHEMBL3799018 0.69 TGFBR1 (0.42) JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP claimed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO claimed
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed