SCHEMBL6131642

SCHEMBL6131642

[c]1nccnc1-c1cncnc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
ATM Q13315 1/20 0.33

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
SCHEMBL8090131 0.76 MAPT (0.43)
SCHEMBL559143 0.71 MTOR (0.39)
SCHEMBL6834820 0.71
SCHEMBL1008860 0.70 CYP1A2 (0.38)
SCHEMBL22261804 0.68 NISCH (0.42)
SCHEMBL22261806 0.68 CCNB2 (0.37) ATM
SCHEMBL22261807 0.68 CCNB2 (0.37) CYP2A6
SCHEMBL15662921 0.67 HSP90AA1 (0.35)
SCHEMBL584984 0.65 KDM4E (0.31)
SCHEMBL21796358 0.64 CYP11B1 (0.42)

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
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
EP-2429295-B1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2013-12-25 EP disclosed
US-6911551-B2 Spiro compounds based on boron or aluminum and the use of the same in the electronics industry COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-06-28 US disclosed