SCHEMBL9739332

SCHEMBL9739332

c1cc2cc3[nH]c4ccncc4c3cc2cn1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.57
HASPIN Q8TF76 10/20 0.53
CCNT1 O60563 4/20 0.53
CDK9 P50750 4/20 0.53
PIM1 P11309 3/20 0.53
KIF11 P52732 1/20 0.51
MAPT P10636 4/20 0.50
PARP1 P09874 1/20 0.45

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
SCHEMBL29625633 0.93 HASPIN (0.59) ACHEHASPINCCNT1CDK9PIM1
SCHEMBL22810058 0.86 PIM1 (0.61) ACHEHASPINCCNT1CDK9PIM1
SCHEMBL1594417 0.86 PIM1 (0.61) ACHEHASPINCCNT1CDK9PIM1
SCHEMBL11071687 0.83 HASPIN (0.48) ACHEHASPINCCNT1CDK9PIM1
SCHEMBL24277019 0.81 ACHE (0.73) ACHEHASPINCCNT1CDK9PIM1
SCHEMBL29642993 0.80 ACHE (0.78) ACHEPIM1KIF11MAPTPARP1
SCHEMBL972999 0.80 ACHE (0.78) ACHEPIM1KIF11MAPTPARP1
SCHEMBL12886713 0.77 HASPIN (0.51) ACHEHASPINCCNT1CDK9PIM1
SCHEMBL19335578 0.76 ACHE (0.50) ACHEPIM1KIF11MAPTPARP1
SCHEMBL11064167 0.75 HASPIN (0.46) HASPINCCNT1CDK9PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2292222-A None JP disclosed
EP-2440547-B1 New chemical molecules that inhibit the splicing mechanism for the treatment of diseases resulting from splicing defects ABIVAX (FR) 2022-11-30 EP disclosed
CN-113501785-A Method for constructing amino isoquinoline derivatives through transition metal catalyzed C-H activation/cyclization reaction 四川大学 2021-10-15 CN disclosed
US-5079363-A From an alkoxypyridine and an indole derivative, antitumor and antileukemia agents SANOFI (FR) 1992-01-07 US disclosed
JP-H02292222-A USE OF DIPYRIDO(4,3-B)(3,4-F)INDOLE FOR PREPARING MEDICINE USEFUL FOR TREATMENT OF AIDS INST NATL SANTE & RECH MED <INSERM> 1990-12-03 JP disclosed
EP-0394112-A2 Use of dipyrido(4,3-b)(3,4-f) indoles for the preparation of medicaments for the treatment of AIDS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1990-10-24 EP disclosed
EP-0394112-A2 Use of dipyrido(4,3-b)(3,4-f) indoles for the preparation of medicaments for the treatment of AIDS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1990-10-24 EP disclosed
EP-0334695-A1 Process for the preparation of isoquinoline derivatives ELF SANOFI (FR) 1989-09-27 EP disclosed
US-4444776-A ANTITUMOR, ANTIVIRAL AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (A N V A R) (FR) 1984-04-24 US disclosed