SCHEMBL30453734

SCHEMBL30453734

Nc1ncc(-c2ccccc2)c(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.66
ADORA1 P30542 7/20 0.59
ADORA2A P29274 4/20 0.59
GFER P55789 1/20 0.53
KMT2A Q03164 1/20 0.53
FGFR1 P11362 1/20 0.50
SRC P12931 1/20 0.50

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
SCHEMBL1317365 1.00 DHFR (0.66) DHFRADORA1ADORA2AGFERKMT2A
Hydrochloric Acid SCHEMBL12813248 0.98 DHFR (0.64) DHFRADORA1ADORA2AGFERKMT2A
Hydrochloric Acid SCHEMBL1091696 0.98 DHFR (0.64) DHFRADORA1ADORA2AGFERKMT2A
SCHEMBL27613072 0.90 DHFR (0.59) DHFRADORA1ADORA2AGFERKMT2A
SCHEMBL27631899 0.87 DHFR (0.69) DHFRADORA1ADORA2A
SCHEMBL9435242 0.84 DHFR (0.62) DHFRADORA1ADORA2AKMT2A
SCHEMBL29116207 0.83 DHFR (0.61) DHFRADORA1ADORA2AKMT2A
SCHEMBL31612551 0.83 DHFR (0.61) DHFRADORA1ADORA2AKMT2A
SCHEMBL8137827 0.82 FGFR1 (0.63) DHFRADORA1ADORA2AGFERKMT2A
SCHEMBL4582424 0.82 ADORA1 (0.83) ADORA1ADORA2AGFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486348-A1 NEW COMPOUNDS AND TREATMENT OF RENAL CELL CARCINOMA Trustlife Global Inc. (US) 2025-01-08 EP disclosed
WO-2023166153-A1 NEW COMPOUNDS AND TREATMENT OF RENAL CELL CARCINOMA BASH BIOTECH INC (US) 2023-09-07 WO disclosed
CN-113061116-B Aminopyrimidine compound, preparation method, composition and application thereof 上海医药工业研究院 2023-07-25 CN disclosed
CN-113227072-B 2, 4-diaminopyrimidine derivatives and uses thereof 上海喆邺生物科技有限公司 2023-07-18 CN disclosed
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed