SCHEMBL30510001

SCHEMBL30510001

Clc1ncc(Br)cc1-c1nn[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 6/20 0.51
▸ PTK2 Q05397 1/20 0.50
▸ PBRM1 Q86U86 1/20 0.45
▸ LDHA P00338 1/20 0.45
▸ IDO1 P14902 3/20 0.44
▸ ATM Q13315 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM1A O60341 1/20 0.41
▸ RPA1 P27694 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39

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
SCHEMBL25378868 1.00 GPR35 (0.51) GPR35PTK2PBRM1LDHAIDO1
SCHEMBL29818393 0.77 PTK2 (0.50) GPR35PTK2PBRM1LDHAIDO1
SCHEMBL25194689 0.77 PTK2 (0.50) GPR35PTK2PBRM1LDHAIDO1
SCHEMBL10289055 0.76 GPR35 (0.48) GPR35PTK2PBRM1ATMMEN1
SCHEMBL20265528 0.70 PTK2 (0.50) GPR35PTK2PBRM1ATM
SCHEMBL29895393 0.69 ALDH1A1 (0.65) GPR35PTK2PBRM1LDHAIDO1
SCHEMBL29225681 0.68 GPR35 (0.66) GPR35PBRM1ATMMEN1ALDH1A1
SCHEMBL25256300 0.68 IDO1 (0.66) GPR35PBRM1LDHAIDO1ATM
SCHEMBL20552533 0.68 GPR35 (1.00) GPR35PTK2PBRM1IDO1ATM
SCHEMBL4211444 0.67 PTK2 (1.00) GPR35PTK2PBRM1IDO1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452253-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD The Katholieke Universiteit Leuven (BE) 2024-10-30 — — EP disclosed
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 — — WO disclosed
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 — — WO disclosed
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