SCHEMBL29865073

SCHEMBL29865073

CNCc1cc2nc(-c3ncccn3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 5/20 0.39
▸ CBFB Q13951 6/20 0.36
▸ METAP2 P50579 5/20 0.36
▸ METAP1 P53582 4/20 0.36
▸ NPC1 O15118 7/20 0.35
▸ RAB9A P51151 7/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 4/20 0.34
▸ MTOR P42345 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ DRD4 P21917 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ALOX15 P16050 2/20 0.32

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
SCHEMBL29865238 0.79 ATAD2 (0.49) PKMMETAP2METAP1NPC1RAB9A
SCHEMBL29525714 0.76 CBFB (0.41) PKMCBFBMETAP2METAP1NPC1
SCHEMBL21964305 0.75 NOS1 (0.41) PKM
SCHEMBL29864204 0.68 TYRO3 (0.39) PKMSMN1; SMN2KDM4EALDH1A1
SCHEMBL1460651 0.65 LOXL2 (0.58) —
SCHEMBL24016459 0.65 MTNR1A (0.56) KDM4ELMNAMAPTALDH1A1
SCHEMBL29525433 0.64 PSMD14 (0.41) PKMMETAP2METAP1NPC1RAB9A
SCHEMBL23493049 0.64 CYP2A6 (0.46) CYP2A6MAPT
SCHEMBL21964304 0.64 BCHE (0.42) SMN1; SMN2LMNA
SCHEMBL548491 0.63 F10 (0.43) PKMNPC1RAB9ASMN1; SMN2LMNA

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
WO-2022175425-A1 INHALED MTOR KINASE INHIBITORS FOR USE IN THE TREATMENT OR THE PREVENTION OF A RESPIRATORY RNA VIRUS INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-08-25 — — WO claimed
Send feedback