SCHEMBL6770169

SCHEMBL6770169

Cc1nnc(-c2cc3c(Cl)ncnc3cn2)o1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31
LRRK2 Q5S007 1/20 0.31
NOTUM Q6P988 1/20 0.31
SCD O00767 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL6764092 0.77 GSK3B (0.43) PDE4APDE4BPDE4CPDE4DLRRK2
SCHEMBL6767023 0.74 LRRK2 (0.40) PDE4APDE4BPDE4CPDE4DLRRK2
SCHEMBL20166091 0.73 CA12 (0.38) CA12CA1CA2CA9LRRK2
SCHEMBL6769469 0.72 PARP1 (0.46) CA12CA9
SCHEMBL7654880 0.71 PDE4A (0.44) ENPP1PDE4APDE4BPDE4CPDE4D
SCHEMBL25768459 0.70 BRD4 (0.33) CA12CA1CA2CA9NOTUM
SCHEMBL7010037 0.69 EGFR (0.55)
SCHEMBL931417 0.68 NOTUM (0.36) CA12CA1CA2CA9LRRK2
SCHEMBL7005568 0.68 EGFR (0.45) LRRK2
SCHEMBL3320194 0.67 PDE4A (0.47) ENPP1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723726-B1 Protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-04-20 US disclosed
EP-0912570-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed
EP-1304110-A2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2003-04-23 EP disclosed
EP-0912572-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-01-15 EP disclosed
US-6207669-B1 IN TREATMENT OF CANCER AND PSORIASIS GLAXO WELLCOME INC. 2001-03-27 US disclosed
US-6174889-B1 PROTEIN TYROSINE KINASE INHIBITORS RELATED TO BIOISOSTERES OF QUINOLINE AND QUINAZOLINE DERIVATIVES; ANTICARCINOGENIC AND -TUMOR AGENTS; PSORIASIS; RESTENOSIS; RHEUMATOID ARTHRITIS, AUTOIMMUNE DISEASE, ALLERGY, ASTHMA AND GRAFT REJECTION GLAXO WELLCOME INC. 2001-01-16 US disclosed
EP-0912570-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
EP-0912572-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002438-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed
WO-1998002437-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed