SCHEMBL24401092

SCHEMBL24401092

COc1ccc(NCc2cnc(Cl)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
RAB9A P51151 4/20 0.55
GAA P10253 3/20 0.55
NPC1 O15118 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53

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
SCHEMBL13567968 0.84 GAA (0.56) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL4692835 0.79 MAPT (0.45) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL10055019 0.79 MAPT (0.82) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL5669873 0.79 MAPT (0.82) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL1844199 0.79 MAPT (0.82) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL10924995 0.78 RAB9A (0.70) MAPTRAB9AGAANPC1L3MBTL1
Hydrochloric Acid SCHEMBL9305559 0.77 MAPT (0.68) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL13567976 0.75 GAA (0.47) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL5998644 0.75 MAPT (0.65) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL22783768 0.74 MAPT (0.74) MAPTRAB9AGAANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4238974-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2022089454-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2022-05-05 WO disclosed