SCHEMBL31398178

SCHEMBL31398178

COc1c(-c2ncn(CCO)n2)cccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.36
RAB9A P51151 2/20 0.36
TYK2 P29597 7/20 0.36
LMNA P02545 2/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 0.35
TUBB2B Q9BVA1 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
PTK2 Q05397 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
SCHEMBL26934121 0.89 RAB9A (0.36) RAB9ATYK2LMNATUBB4ATUBB
SCHEMBL26934123 0.89 RAB9A (0.38) ABCG2RAB9ATYK2LMNANPC1
SCHEMBL30674039 0.88 POLB (0.43) ABCG2TYK2LMNATUBB4ATUBB
SCHEMBL26931418 0.87 RAB9A (0.37) RAB9ALMNATUBB4ATUBBTUBA3C
SCHEMBL29046045 0.85 GLA (0.40) ABCG2RAB9ATYK2LMNATUBB4A
SCHEMBL27095199 0.85 KMT2A (0.38) ABCG2RAB9ATYK2LMNATUBB4A
SCHEMBL26934117 0.84 ALDH1A1 (0.36) ABCG2TYK2LMNATUBB4ATUBB
SCHEMBL26934138 0.83 TYK2 (0.46) RAB9ATYK2TUBB4ATUBBTUBA3C
SCHEMBL15690274 0.83 TYK2 (0.42) TYK2JAK2
SCHEMBL29607458 0.83 TYK2 (0.42) TYK2JAK2

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-2024262911-A1 NOVEL PYRAZOLO PYRIMIDINE-BASED COMPOUND AND USE THEREOF 주식회사 에이조스바이오 2024-12-26 WO disclosed