SCHEMBL6769400

SCHEMBL6769400

CN(C)c1cc2c(=O)nc[nH]c2cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 2/20 0.38
▸ IP6K1 Q92551 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TDO2 P48775 1/20 0.34
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ MAP3K11 Q16584 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ PDPK1 O15530 1/20 0.30
▸ PNP P00491 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
SCHEMBL7657497 0.77 UHRF1 (0.35) PDE9AMAPTPNP
SCHEMBL7970840 0.74 PNP (0.40) PDE9AMAPTPNP
SCHEMBL28490365 0.74 PARP1 (0.35) MAPTPNP
SCHEMBL3319993 0.74 GABRP (0.42) PDE9AMAPTPNP
SCHEMBL8976527 0.73 IP6K1 (0.58) IP6K1MAPT
SCHEMBL6769402 0.73 IP6K1 (0.58) IP6K1PDPK1
SCHEMBL6769664 0.71 CHEK1 (0.46) PDE9AIP6K1
SCHEMBL6364136 0.70 GABRP (0.49) PDE9AMAPT
SCHEMBL22962863 0.69 PARP1 (0.41) MAPTPDPK1PNP
SCHEMBL6360080 0.69 LCK (0.39) MAPTPNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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
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