SCHEMBL7496945

SCHEMBL7496945

Nc1cccc2c1Nc1ccc(F)cc1C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
LRRK2 Q5S007 6/20 0.43
FLT3 P36888 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ACVR1 Q04771 2/20 0.42
ROS1 P08922 1/20 0.42
CDK5 Q00535 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CCNE2 O96020 1/20 0.39
PDGFRA P16234 1/20 0.39
FER P16591 1/20 0.39
LTK P29376 1/20 0.39
CDK8 P49336 1/20 0.39
DYRK1B Q9Y463 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
SCHEMBL17993494 0.80 LRRK2 (0.54) CA1CA2LRRK2FLT3KMT2A
SCHEMBL3616249 0.79 LRRK2 (0.64) CHEK1CA1CA2LRRK2FLT3
SCHEMBL5366693 0.73 ACVR1 (0.57) CHEK1LRRK2FLT3KMT2AMEN1
Hydrochloric Acid SCHEMBL6098100 0.71 ACVR1 (0.55) CHEK1LRRK2FLT3KMT2AMEN1
SCHEMBL9176425 0.71 CYP1A2 (0.56) CA1CA2LRRK2FLT3KMT2A
SCHEMBL11482314 0.70 LRRK2 (0.48) CA1CA2LRRK2FLT3KMT2A
SCHEMBL11890574 0.70 FLT3 (0.54) CHEK1CA1CA2LRRK2FLT3
5-Fluoroisatin SCHEMBL7829877 0.70 MAOB (0.69) LRRK2FLT3KMT2AMEN1MAOA
SCHEMBL3409341 0.70 LRRK2 (0.69) CHEK1LRRK2FLT3KMT2AMEN1
SCHEMBL11029136 0.70 FLT3 (0.54) CHEK1CA1CA2LRRK2FLT3

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-0679641-B1 SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EACH HAVING TRICYCLIC HETERO RING EISAI CO LTD (JP) 2002-10-02 EP disclosed
US-5854274-A Tricyclic heterocyclic sulfonamide and sulfonic ester derivatives EISAI CO., LTD. (JP) 1998-12-29 US disclosed
EP-0679641-A1 SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EACH HAVING TRICYCLIC HETERO RING Eisai Co., Ltd. (JP) 1995-11-02 EP disclosed